CID 13711

2'-deoxycytidine

Structural Information

Molecular Formula
C9H13N3O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O
InChI
InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
InChIKey
CKTSBUTUHBMZGZ-SHYZEUOFSA-N
Compound name
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

20231
References

47465
Patents

227.0906 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.097876 147.8
[M+Na]+ 250.079818 156.3
[M-H]- 226.083324 150.2
[M+NH4]+ 245.124423 162.0
[M+K]+ 266.053758 154.2
[M+H-H2O]+ 210.087860 140.4
[M+HCOO]- 272.088801 166.4
[M+CH3COO]- 286.104451 185.2
[M+Na-2H]- 248.065266 150.3
[M]+ 227.09005142 145.9
[M]- 227.09114858 145.9
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