CID 84665807

6-chloro-7-cyclopropyl-7h-purine

Structural Information

Molecular Formula
C8H7ClN4
SMILES
C1CC1N2C=NC3=C2C(=NC=N3)Cl
InChI
InChI=1S/C8H7ClN4/c9-7-6-8(11-3-10-7)12-4-13(6)5-1-2-5/h3-5H,1-2H2
InChIKey
IEUDGSZEZMYSLK-UHFFFAOYSA-N
Compound name
6-chloro-7-cyclopropylpurine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.03592 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.043196 148.3
[M+Na]+ 217.025138 162.6
[M-H]- 193.028644 151.3
[M+NH4]+ 212.069743 161.3
[M+K]+ 232.999078 156.0
[M+H-H2O]+ 177.033180 139.1
[M+HCOO]- 239.034121 165.4
[M+CH3COO]- 253.049771 160.8
[M+Na-2H]- 215.010586 154.9
[M]+ 194.03537142 153.4
[M]- 194.03646858 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

No patent data available for this compound.