CID 454019

2-(6-chloropurin-9-yl)propan-1-ol

Structural Information

Molecular Formula
C8H9ClN4O
SMILES
CC(CO)N1C=NC2=C1N=CN=C2Cl
InChI
InChI=1S/C8H9ClN4O/c1-5(2-14)13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3
InChIKey
CGYSKOYQWONXLU-UHFFFAOYSA-N
Compound name
2-(6-chloropurin-9-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

212.0465 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05378 141.9
[M+Na]+ 235.03572 153.9
[M-H]- 211.03922 140.5
[M+NH4]+ 230.08032 158.6
[M+K]+ 251.00966 149.3
[M+H-H2O]+ 195.04376 134.0
[M+HCOO]- 257.04470 156.4
[M+CH3COO]- 271.06035 154.4
[M+Na-2H]- 233.02117 148.3
[M]+ 212.04595 145.8
[M]- 212.04705 145.8
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.