CID 135499638

C-d4i

Structural Information

Molecular Formula
C11H12N4O2
SMILES
C1[C@@H](C=C[C@@H]1N2C=NC3=C2N=CNC3=O)CO
InChI
InChI=1S/C11H12N4O2/c16-4-7-1-2-8(3-7)15-6-14-9-10(15)12-5-13-11(9)17/h1-2,5-8,16H,3-4H2,(H,12,13,17)/t7-,8+/m1/s1
InChIKey
OSYFEPUFNZOGQX-SFYZADRCSA-N
Compound name
9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

232.09602 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10330 149.4
[M+Na]+ 255.08524 160.4
[M-H]- 231.08874 150.6
[M+NH4]+ 250.12984 165.4
[M+K]+ 271.05918 155.4
[M+H-H2O]+ 215.09328 141.1
[M+HCOO]- 277.09422 168.4
[M+CH3COO]- 291.10987 161.4
[M+Na-2H]- 253.07069 153.0
[M]+ 232.09547 149.6
[M]- 232.09657 149.6
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.