CID 477413

5-hydroxy-2'-deoxycytidine

Structural Information

Molecular Formula
C9H13N3O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)O)CO)O
InChI
InChI=1S/C9H13N3O5/c10-8-5(15)2-12(9(16)11-8)7-1-4(14)6(3-13)17-7/h2,4,6-7,13-15H,1,3H2,(H2,10,11,16)/t4-,6+,7+/m0/s1
InChIKey
CKZJTNZSBMVFSU-UBKIQSJTSA-N
Compound name
4-amino-5-hydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

816
Patents

243.08553 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09281 151.2
[M+Na]+ 266.07475 159.9
[M-H]- 242.07825 152.7
[M+NH4]+ 261.11935 164.3
[M+K]+ 282.04869 157.6
[M+H-H2O]+ 226.08279 144.1
[M+HCOO]- 288.08373 168.5
[M+CH3COO]- 302.09938 186.8
[M+Na-2H]- 264.06020 152.7
[M]+ 243.08498 149.3
[M]- 243.08608 149.3
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