CID 104189097

1-(4-methylcyclohexyl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C14H18N2
SMILES
CC1CCC(CC1)N2C=NC3=CC=CC=C32
InChI
InChI=1S/C14H18N2/c1-11-6-8-12(9-7-11)16-10-15-13-4-2-3-5-14(13)16/h2-5,10-12H,6-9H2,1H3
InChIKey
PRJPYKUCFPAOOU-UHFFFAOYSA-N
Compound name
1-(4-methylcyclohexyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.147 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.154276 148.7
[M+Na]+ 237.136218 156.6
[M-H]- 213.139724 153.3
[M+NH4]+ 232.180823 167.5
[M+K]+ 253.110158 152.1
[M+H-H2O]+ 197.144260 140.1
[M+HCOO]- 259.145201 168.2
[M+CH3COO]- 273.160851 160.9
[M+Na-2H]- 235.121666 153.4
[M]+ 214.14645142 146.2
[M]- 214.14754858 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

No patent data available for this compound.