PubChemLite - N(ch2coazt)morpholine (C16H22N6O6)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CN3CCOCC3)N=[N+]=[N-]

InChI

InChI=1S/C16H22N6O6/c1-10-7-22(16(25)18-15(10)24)13-6-11(19-20-17)12(28-13)9-27-14(23)8-21-2-4-26-5-3-21/h7,11-13H,2-6,8-9H2,1H3,(H,18,24,25)/t11-,12+,13+/m0/s1

InChIKey

VUDHUKKUITYNHN-YNEHKIRRSA-N

Compound name

[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-morpholin-4-ylacetate

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]+	395.16738	192.1
[M+Na]+	417.14932	195.4
[M-H]-	393.15282	200.0
[M+NH4]+	412.19392	196.8
[M+K]+	433.12326	189.4
[M+H-H2O]+	377.15736	185.2
[M+HCOO]-	439.15830	210.3
[M+CH3COO]-	453.17395	218.8
[M+Na-2H]-	415.13477	195.9
[M]+	394.15955	188.6
[M]-	394.16065	188.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

395.16738

192.1

[M+Na]+

417.14932

195.4

[M-H]-

393.15282

200.0

[M+NH4]+

412.19392

196.8

[M+K]+

433.12326

189.4

[M+H-H2O]+

377.15736

185.2

[M+HCOO]-

439.15830

210.3

[M+CH3COO]-

453.17395

218.8

[M+Na-2H]-

415.13477

195.9

[M]+

394.15955

188.6

[M]-

394.16065

188.6

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

N(ch2coazt)morpholine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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