CID 81707

7289-18-1

Structural Information

Molecular Formula
C14H20ClN
SMILES
C1CCC(CC1)CNCC2=CC=CC=C2Cl
InChI
InChI=1S/C14H20ClN/c15-14-9-5-4-8-13(14)11-16-10-12-6-2-1-3-7-12/h4-5,8-9,12,16H,1-3,6-7,10-11H2
InChIKey
XTNVPEKUTWBJIY-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]-1-cyclohexylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

237.12843 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13571 155.2
[M+Na]+ 260.11765 159.6
[M-H]- 236.12115 160.4
[M+NH4]+ 255.16225 173.1
[M+K]+ 276.09159 154.3
[M+H-H2O]+ 220.12569 148.4
[M+HCOO]- 282.12663 171.7
[M+CH3COO]- 296.14228 192.8
[M+Na-2H]- 258.10310 159.3
[M]+ 237.12788 151.8
[M]- 237.12898 151.8
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