CID 4113847

161091-55-0

Structural Information

Molecular Formula
C9H12N4
SMILES
CC1=CC2=C(N=C1C)N=C(N2C)N
InChI
InChI=1S/C9H12N4/c1-5-4-7-8(11-6(5)2)12-9(10)13(7)3/h4H,1-3H3,(H2,10,11,12)
InChIKey
GWMHBZDOVFZVQC-UHFFFAOYSA-N
Compound name
1,5,6-trimethylimidazo[4,5-b]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

176.1062 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.113476 137.7
[M+Na]+ 199.095418 150.6
[M-H]- 175.098924 139.5
[M+NH4]+ 194.140023 157.5
[M+K]+ 215.069358 146.9
[M+H-H2O]+ 159.103460 130.5
[M+HCOO]- 221.104401 160.9
[M+CH3COO]- 235.120051 152.0
[M+Na-2H]- 197.080866 143.9
[M]+ 176.10565142 140.1
[M]- 176.10674858 140.1
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