CID 500844

180587-74-0

Structural Information

Molecular Formula
C8H9ClN4O
SMILES
C[C@H](CN1C=NC2=C1N=CN=C2Cl)O
InChI
InChI=1S/C8H9ClN4O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3/t5-/m1/s1
InChIKey
LVNBNKMMTVWRJO-RXMQYKEDSA-N
Compound name
(2R)-1-(6-chloropurin-9-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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

literature stripe

Patent stripe

patents stripe