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]+ 232.10805 149.2
[M+Na]+ 254.08999 159.9
[M-H]- 230.09349 151.7
[M+NH4]+ 249.13459 166.7
[M+K]+ 270.06393 154.8
[M+H-H2O]+ 214.09803 141.6
[M+HCOO]- 276.09897 169.3
[M+CH3COO]- 290.11462 161.7
[M+Na-2H]- 252.07544 152.6
[M]+ 231.10022 149.4
[M]- 231.10132 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.