CID 37587

2-cyclohexyl-1h-benzimidazole

Structural Information

Molecular Formula
C13H16N2
SMILES
C1CCC(CC1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H16N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h4-5,8-10H,1-3,6-7H2,(H,14,15)
InChIKey
ZUKYCLYMFNPDCT-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

129
Patents

200.13135 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 144.0
[M+Na]+ 223.12057 151.0
[M-H]- 199.12407 147.1
[M+NH4]+ 218.16517 162.3
[M+K]+ 239.09451 145.8
[M+H-H2O]+ 183.12861 135.7
[M+HCOO]- 245.12955 162.4
[M+CH3COO]- 259.14520 155.7
[M+Na-2H]- 221.10602 149.6
[M]+ 200.13080 139.0
[M]- 200.13190 139.0
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