CID 54901823

1178416-39-1

Structural Information

Molecular Formula
C14H19N3
SMILES
C1CCC(CC1)C(C2=NC3=CC=CC=C3N2)N
InChI
InChI=1S/C14H19N3/c15-13(10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)17-14/h4-5,8-10,13H,1-3,6-7,15H2,(H,16,17)
InChIKey
VUYWMOWHCWXKHG-UHFFFAOYSA-N
Compound name
1H-benzimidazol-2-yl(cyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1579 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.16518 151.9
[M+Na]+ 252.14712 157.2
[M-H]- 228.15062 154.3
[M+NH4]+ 247.19172 168.3
[M+K]+ 268.12106 151.9
[M+H-H2O]+ 212.15516 143.3
[M+HCOO]- 274.15610 169.3
[M+CH3COO]- 288.17175 162.2
[M+Na-2H]- 250.13257 155.5
[M]+ 229.15735 145.0
[M]- 229.15845 145.0
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.