CID 59955637

1-cyclohexyl-2-methyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C14H18N2
SMILES
CC1=NC2=CC=CC=C2N1C3CCCCC3
InChI
InChI=1S/C14H18N2/c1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKey
JKJSHTJRENPKTG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

214.147 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15428 148.7
[M+Na]+ 237.13622 156.6
[M-H]- 213.13972 153.3
[M+NH4]+ 232.18082 167.5
[M+K]+ 253.11016 152.1
[M+H-H2O]+ 197.14426 140.1
[M+HCOO]- 259.14520 168.2
[M+CH3COO]- 273.16085 160.9
[M+Na-2H]- 235.12167 153.4
[M]+ 214.14645 146.2
[M]- 214.14755 146.2
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

patents stripe