CID 3903843

1-cyclohexyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C13H16N2
SMILES
C1CCC(CC1)N2C=NC3=CC=CC=C32
InChI
InChI=1S/C13H16N2/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15/h4-5,8-11H,1-3,6-7H2
InChIKey
ZRJYBKOKFGHSJQ-UHFFFAOYSA-N
Compound name
1-cyclohexylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

200.13135 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 143.8
[M+Na]+ 223.120568 151.2
[M-H]- 199.124074 148.2
[M+NH4]+ 218.165173 162.8
[M+K]+ 239.094508 146.9
[M+H-H2O]+ 183.128610 135.2
[M+HCOO]- 245.129551 163.6
[M+CH3COO]- 259.145201 156.1
[M+Na-2H]- 221.106016 149.8
[M]+ 200.13080142 140.6
[M]- 200.13189858 140.6
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