CID 675

5,6-dimethylbenzimidazole

Structural Information

Molecular Formula
C9H10N2
SMILES
CC1=CC2=C(C=C1C)N=CN2
InChI
InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
InChIKey
LJUQGASMPRMWIW-UHFFFAOYSA-N
Compound name
5,6-dimethyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

121
References

2688
Patents

146.0844 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.091676 128.0
[M+Na]+ 169.073618 139.6
[M-H]- 145.077124 129.6
[M+NH4]+ 164.118223 149.7
[M+K]+ 185.047558 135.6
[M+H-H2O]+ 129.081660 121.8
[M+HCOO]- 191.082601 150.7
[M+CH3COO]- 205.098251 142.6
[M+Na-2H]- 167.059066 136.0
[M]+ 146.08385142 129.0
[M]- 146.08494858 129.0
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