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]+ 183.04320 134.6
[M+Na]+ 205.02514 148.9
[M-H]- 181.02864 134.8
[M+NH4]+ 200.06974 153.6
[M+K]+ 220.99908 144.3
[M+H-H2O]+ 165.03318 126.8
[M+HCOO]- 227.03412 151.6
[M+CH3COO]- 241.04977 148.8
[M+Na-2H]- 203.01059 142.2
[M]+ 182.03537 139.5
[M]- 182.03647 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