CID 12335824

[1-(4-chlorophenyl)cyclohexyl]methanamine

Structural Information

Molecular Formula
C13H18ClN
SMILES
C1CCC(CC1)(CN)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H18ClN/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7H,1-3,8-10,15H2
InChIKey
NVXHEFNSQQTTPF-UHFFFAOYSA-N
Compound name
[1-(4-chlorophenyl)cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

223.11278 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.120056 151.1
[M+Na]+ 246.101998 157.0
[M-H]- 222.105504 156.4
[M+NH4]+ 241.146603 171.4
[M+K]+ 262.075938 151.8
[M+H-H2O]+ 206.110040 145.2
[M+HCOO]- 268.110981 167.4
[M+CH3COO]- 282.126631 188.6
[M+Na-2H]- 244.087446 155.7
[M]+ 223.11223142 146.6
[M]- 223.11332858 146.6
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