PubChemLite - 5-methylcytidine 3',5'-cyclic monophosphate (C10H14N3O7P)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)N=C1N)[C@H]2[C@@H](C3C(O2)COP(=O)(O3)O)O

InChI

InChI=1S/C10H14N3O7P/c1-4-2-13(10(15)12-8(4)11)9-6(14)7-5(19-9)3-18-21(16,17)20-7/h2,5-7,9,14H,3H2,1H3,(H,16,17)(H2,11,12,15)/t5?,6-,7?,9-/m1/s1

InChIKey

GLSXTZUEAMDDQV-MFWQPVBSSA-N

Compound name

4-amino-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyrimidin-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]+	320.06423	169.4
[M+Na]+	342.04617	178.3
[M-H]-	318.04967	173.0
[M+NH4]+	337.09077	180.5
[M+K]+	358.02011	179.5
[M+H-H2O]+	302.05421	160.5
[M+HCOO]-	364.05515	187.9
[M+CH3COO]-	378.07080	204.0
[M+Na-2H]-	340.03162	170.0
[M]+	319.05640	170.6
[M]-	319.05750	170.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

320.06423

169.4

[M+Na]+

342.04617

178.3

[M-H]-

318.04967

173.0

[M+NH4]+

337.09077

180.5

[M+K]+

358.02011

179.5

[M+H-H2O]+

302.05421

160.5

[M+HCOO]-

364.05515

187.9

[M+CH3COO]-

378.07080

204.0

[M+Na-2H]-

340.03162

170.0

[M]+

319.05640

170.6

[M]-

319.05750

170.6

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

5-methylcytidine 3',5'-cyclic monophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe