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

literature stripe

Patent stripe

patents stripe