PubChemLite - [(4r,6r)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl carbamate (C13H17N3O7)

Structural Information

Molecular Formula

SMILES

CC1(OC2[C@H](O[C@H](C2O1)N3C=CC(=O)NC3=O)COC(=O)N)C

InChI

InChI=1S/C13H17N3O7/c1-13(2)22-8-6(5-20-11(14)18)21-10(9(8)23-13)16-4-3-7(17)15-12(16)19/h3-4,6,8-10H,5H2,1-2H3,(H2,14,18)(H,15,17,19)/t6-,8?,9?,10-/m1/s1

InChIKey

PSHKQESDGOBINT-UHMNONSZSA-N

Compound name

[(4R,6R)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl carbamate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	328.11394	169.1
[M+Na]+	350.09588	178.1
[M-H]-	326.09938	175.3
[M+NH4]+	345.14048	181.8
[M+K]+	366.06982	179.0
[M+H-H2O]+	310.10392	163.9
[M+HCOO]-	372.10486	184.8
[M+CH3COO]-	386.12051	205.8
[M+Na-2H]-	348.08133	170.9
[M]+	327.10611	173.1
[M]-	327.10721	173.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

328.11394

169.1

[M+Na]+

350.09588

178.1

[M-H]-

326.09938

175.3

[M+NH4]+

345.14048

181.8

[M+K]+

366.06982

179.0

[M+H-H2O]+

310.10392

163.9

[M+HCOO]-

372.10486

184.8

[M+CH3COO]-

386.12051

205.8

[M+Na-2H]-

348.08133

170.9

[M]+

327.10611

173.1

[M]-

327.10721

173.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

[(4r,6r)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl carbamate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe