CID 76891

2,5,6-trimethylbenzimidazole

Structural Information

Molecular Formula
C10H12N2
SMILES
CC1=CC2=C(C=C1C)N=C(N2)C
InChI
InChI=1S/C10H12N2/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3,(H,11,12)
InChIKey
AFNRMRFWCAJQGP-UHFFFAOYSA-N
Compound name
2,5,6-trimethyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

243
Patents

160.10005 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.107326 132.6
[M+Na]+ 183.089268 144.7
[M-H]- 159.092774 134.5
[M+NH4]+ 178.133873 154.1
[M+K]+ 199.063208 140.5
[M+H-H2O]+ 143.097310 126.6
[M+HCOO]- 205.098251 155.0
[M+CH3COO]- 219.113901 147.1
[M+Na-2H]- 181.074716 139.3
[M]+ 160.09950142 134.3
[M]- 160.10059858 134.3
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