CID 451903

118237-76-6

Structural Information

Molecular Formula
C11H13ClN4O
SMILES
C1C[C@@H](C[C@@H]1CO)N2C=NC3=C2N=CN=C3Cl
InChI
InChI=1S/C11H13ClN4O/c12-10-9-11(14-5-13-10)16(6-15-9)8-2-1-7(3-8)4-17/h5-8,17H,1-4H2/t7-,8+/m1/s1
InChIKey
URIZOAAZYRTGSQ-SFYZADRCSA-N
Compound name
[(1R,3S)-3-(6-chloropurin-9-yl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

252.07779 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08507 155.0
[M+Na]+ 275.06701 165.9
[M-H]- 251.07051 156.6
[M+NH4]+ 270.11161 171.6
[M+K]+ 291.04095 160.4
[M+H-H2O]+ 235.07505 146.1
[M+HCOO]- 297.07599 168.8
[M+CH3COO]- 311.09164 166.6
[M+Na-2H]- 273.05246 157.2
[M]+ 252.07724 156.5
[M]- 252.07834 156.5
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.