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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.