CID 72251

2',3'-dideoxy-5-methylcytidine

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C10H15N3O3/c1-6-4-13(10(15)12-9(6)11)8-3-2-7(5-14)16-8/h4,7-8,14H,2-3,5H2,1H3,(H2,11,12,15)/t7-,8+/m0/s1
InChIKey
JNQYNXFGVRUFNP-JGVFFNPUSA-N
Compound name
4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

252
Patents

225.11134 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.118616 149.3
[M+Na]+ 248.100558 158.0
[M-H]- 224.104064 152.9
[M+NH4]+ 243.145163 164.5
[M+K]+ 264.074498 155.9
[M+H-H2O]+ 208.108600 141.7
[M+HCOO]- 270.109541 169.0
[M+CH3COO]- 284.125191 188.1
[M+Na-2H]- 246.086006 151.6
[M]+ 225.11079142 148.1
[M]- 225.11188858 148.1
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