CID 240689

5,6-dimethyl-2-ethylbenzimidazole

Structural Information

Molecular Formula
C11H14N2
SMILES
CCC1=NC2=C(N1)C=C(C(=C2)C)C
InChI
InChI=1S/C11H14N2/c1-4-11-12-9-5-7(2)8(3)6-10(9)13-11/h5-6H,4H2,1-3H3,(H,12,13)
InChIKey
LAQXERCZJGYYGM-UHFFFAOYSA-N
Compound name
2-ethyl-5,6-dimethyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
Patents

174.11569 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 137.4
[M+Na]+ 197.104908 148.9
[M-H]- 173.108414 139.0
[M+NH4]+ 192.149513 158.2
[M+K]+ 213.078848 144.5
[M+H-H2O]+ 157.112950 131.0
[M+HCOO]- 219.113891 159.3
[M+CH3COO]- 233.129541 151.4
[M+Na-2H]- 195.090356 143.5
[M]+ 174.11514142 139.4
[M]- 174.11623858 139.4
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