CID 92918

5-methylcytidine

Structural Information

Molecular Formula
C10H15N3O5
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H15N3O5/c1-4-2-13(10(17)12-8(4)11)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,17)/t5-,6-,7-,9-/m1/s1
InChIKey
ZAYHVCMSTBRABG-JXOAFFINSA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

188
References

34393
Patents

257.10117 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10845 156.3
[M+Na]+ 280.09039 165.5
[M-H]- 256.09389 158.1
[M+NH4]+ 275.13499 169.1
[M+K]+ 296.06433 163.1
[M+H-H2O]+ 240.09843 149.4
[M+HCOO]- 302.09937 173.2
[M+CH3COO]- 316.11502 191.2
[M+Na-2H]- 278.07584 156.5
[M]+ 257.10062 155.2
[M]- 257.10172 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe