CID 3011777

3'-deoxycytosine

Structural Information

Molecular Formula
C9H15N3O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(NC2=O)N)CO)O
InChI
InChI=1S/C9H15N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-8,13-14H,3-4,10H2,(H,11,15)/t5-,6+,7?,8+/m0/s1
InChIKey
YEKVLBJYNZKBMV-CZLDRYSHSA-N
Compound name
6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

106
Patents

229.10626 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11354 151.4
[M+Na]+ 252.09548 157.4
[M-H]- 228.09898 151.6
[M+NH4]+ 247.14008 164.6
[M+K]+ 268.06942 154.9
[M+H-H2O]+ 212.10352 144.2
[M+HCOO]- 274.10446 165.6
[M+CH3COO]- 288.12011 183.7
[M+Na-2H]- 250.08093 151.5
[M]+ 229.10571 144.8
[M]- 229.10681 144.8
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