CID 135483731

(+/-)-[cis-7-(4-hydroxymethyl)-cyclopent-2-enyl]-3h,7h-pyrrolo[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C12H13N3O2
SMILES
C1[C@@H](C=C[C@@H]1N2C=CC3=C2N=CNC3=O)CO
InChI
InChI=1S/C12H13N3O2/c16-6-8-1-2-9(5-8)15-4-3-10-11(15)13-7-14-12(10)17/h1-4,7-9,16H,5-6H2,(H,13,14,17)/t8-,9+/m1/s1
InChIKey
WPMZPCMTTAQPEQ-BDAKNGLRSA-N
Compound name
7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10077 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.108046 149.2
[M+Na]+ 254.089988 159.9
[M-H]- 230.093494 151.7
[M+NH4]+ 249.134593 166.7
[M+K]+ 270.063928 154.8
[M+H-H2O]+ 214.098030 141.6
[M+HCOO]- 276.098971 169.3
[M+CH3COO]- 290.114621 161.7
[M+Na-2H]- 252.075436 152.6
[M]+ 231.10022142 149.4
[M]- 231.10131858 149.4
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.