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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.