CID 5420835

6-methyl-1h-purin-2-amine

Structural Information

Molecular Formula
C6H7N5
SMILES
CC1=C2C(=NC(=N1)N)N=CN2
InChI
InChI=1S/C6H7N5/c1-3-4-5(9-2-8-4)11-6(7)10-3/h2H,1H3,(H3,7,8,9,10,11)
InChIKey
AFWWNHLDHNSVSD-UHFFFAOYSA-N
Compound name
6-methyl-7H-purin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1986
Patents

149.07014 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.077416 128.7
[M+Na]+ 172.059358 140.7
[M-H]- 148.062864 127.4
[M+NH4]+ 167.103963 146.8
[M+K]+ 188.033298 136.6
[M+H-H2O]+ 132.067400 120.9
[M+HCOO]- 194.068341 150.0
[M+CH3COO]- 208.083991 142.1
[M+Na-2H]- 170.044806 137.5
[M]+ 149.06959142 128.0
[M]- 149.07068858 128.0
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