CID 7147192

2-chloro-6,9-dimethyl-9h-purine

Structural Information

Molecular Formula
C7H7ClN4
SMILES
CC1=C2C(=NC(=N1)Cl)N(C=N2)C
InChI
InChI=1S/C7H7ClN4/c1-4-5-6(11-7(8)10-4)12(2)3-9-5/h3H,1-2H3
InChIKey
IMESDNKNMQDHLR-UHFFFAOYSA-N
Compound name
2-chloro-6,9-dimethylpurine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

182.03592 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.043196 134.6
[M+Na]+ 205.025138 148.9
[M-H]- 181.028644 134.8
[M+NH4]+ 200.069743 153.6
[M+K]+ 220.999078 144.3
[M+H-H2O]+ 165.033180 126.8
[M+HCOO]- 227.034121 151.6
[M+CH3COO]- 241.049771 148.8
[M+Na-2H]- 203.010586 142.2
[M]+ 182.03537142 139.5
[M]- 182.03646858 139.5
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

patents stripe