PubChemLite - Cytidine 2',3'-cyclic phosphate (C9H12N3O7P)

Structural Information

Molecular Formula

SMILES

C1=CN(C(=O)N=C1N)C2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)O

InChI

InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8?/m1/s1

InChIKey

NMPZCCZXCOMSDQ-ZRTZXPPTSA-N

Compound name

1-[(3aR,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-aminopyrimidin-2-one

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]+	306.04858	161.4
[M+Na]+	328.03052	170.2
[M-H]-	304.03402	165.2
[M+NH4]+	323.07512	174.6
[M+K]+	344.00446	171.6
[M+H-H2O]+	288.03856	153.9
[M+HCOO]-	350.03950	182.4
[M+CH3COO]-	364.05515	199.0
[M+Na-2H]-	326.01597	162.1
[M]+	305.04075	163.8
[M]-	305.04185	163.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

306.04858

161.4

[M+Na]+

328.03052

170.2

[M-H]-

304.03402

165.2

[M+NH4]+

323.07512

174.6

[M+K]+

344.00446

171.6

[M+H-H2O]+

288.03856

153.9

[M+HCOO]-

350.03950

182.4

[M+CH3COO]-

364.05515

199.0

[M+Na-2H]-

326.01597

162.1

[M]+

305.04075

163.8

[M]-

305.04185

163.8

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

Cytidine 2',3'-cyclic phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe