PubChemLite - 5-methylcytidine 5'-monophosphate (C10H16N3O8P)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O

InChI

InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)11)9-7(15)6(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14-15H,3H2,1H3,(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1

InChIKey

NJQONZSFUKNYOY-JXOAFFINSA-N

Compound name

[(2R,3S,4R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

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]+	338.07478	171.5
[M+Na]+	360.05672	178.4
[M-H]-	336.06022	170.6
[M+NH4]+	355.10132	180.1
[M+K]+	376.03066	177.9
[M+H-H2O]+	320.06476	162.3
[M+HCOO]-	382.06570	190.6
[M+CH3COO]-	396.08135	203.6
[M+Na-2H]-	358.04217	170.0
[M]+	337.06695	172.0
[M]-	337.06805	172.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

338.07478

171.5

[M+Na]+

360.05672

178.4

[M-H]-

336.06022

170.6

[M+NH4]+

355.10132

180.1

[M+K]+

376.03066

177.9

[M+H-H2O]+

320.06476

162.3

[M+HCOO]-

382.06570

190.6

[M+CH3COO]-

396.08135

203.6

[M+Na-2H]-

358.04217

170.0

[M]+

337.06695

172.0

[M]-

337.06805

172.0

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

5-methylcytidine 5'-monophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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