CID 15048

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

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

8
References

35458
Patents

149.07014 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07742 128.7
[M+Na]+ 172.05936 140.7
[M-H]- 148.06286 127.4
[M+NH4]+ 167.10396 146.8
[M+K]+ 188.03330 136.6
[M+H-H2O]+ 132.06740 120.9
[M+HCOO]- 194.06834 150.0
[M+CH3COO]- 208.08399 142.1
[M+Na-2H]- 170.04481 137.5
[M]+ 149.06959 128.0
[M]- 149.07069 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