CID 246967

6-chloro-9-cyclopropyl-9h-purine

Structural Information

Molecular Formula
C8H7ClN4
SMILES
C1CC1N2C=NC3=C2N=CN=C3Cl
InChI
InChI=1S/C8H7ClN4/c9-7-6-8(11-3-10-7)13(4-12-6)5-1-2-5/h3-5H,1-2H2
InChIKey
PSQPMAOEUNCGBD-UHFFFAOYSA-N
Compound name
6-chloro-9-cyclopropylpurine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

194.03592 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04320 148.3
[M+Na]+ 217.02514 162.6
[M-H]- 193.02864 151.3
[M+NH4]+ 212.06974 161.3
[M+K]+ 232.99908 156.0
[M+H-H2O]+ 177.03318 139.1
[M+HCOO]- 239.03412 165.4
[M+CH3COO]- 253.04977 160.8
[M+Na-2H]- 215.01059 154.9
[M]+ 194.03537 153.4
[M]- 194.03647 153.4
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

patents stripe