CID 93125

2-amino-5,6-dimethylbenzimidazole

Structural Information

Molecular Formula
C9H11N3
SMILES
CC1=CC2=C(C=C1C)N=C(N2)N
InChI
InChI=1S/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)
InChIKey
YPFQISHSXCFZMU-UHFFFAOYSA-N
Compound name
5,6-dimethyl-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

236
Patents

161.09529 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10257 132.6
[M+Na]+ 184.08451 144.2
[M-H]- 160.08801 134.1
[M+NH4]+ 179.12911 153.4
[M+K]+ 200.05845 139.8
[M+H-H2O]+ 144.09255 126.3
[M+HCOO]- 206.09349 155.7
[M+CH3COO]- 220.10914 146.7
[M+Na-2H]- 182.06996 139.3
[M]+ 161.09474 132.3
[M]- 161.09584 132.3
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