CID 451473

147332-45-4

Structural Information

Molecular Formula
C11H13N5O
SMILES
C1[C@@H](C=C[C@@H]1N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C11H13N5O/c12-10-9-11(14-5-13-10)16(6-15-9)8-2-1-7(3-8)4-17/h1-2,5-8,17H,3-4H2,(H2,12,13,14)/t7-,8+/m1/s1
InChIKey
COZAZKCWQGBJDE-SFYZADRCSA-N
Compound name
[(1S,4R)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

59
Patents

231.11201 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11929 149.3
[M+Na]+ 254.10123 159.8
[M-H]- 230.10473 151.5
[M+NH4]+ 249.14583 165.6
[M+K]+ 270.07517 155.2
[M+H-H2O]+ 214.10927 140.5
[M+HCOO]- 276.11021 170.0
[M+CH3COO]- 290.12586 161.4
[M+Na-2H]- 252.08668 153.3
[M]+ 231.11146 149.1
[M]- 231.11256 149.1
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.