CID 61030255

(2-chlorophenyl)(cyclohexyl)methanamine

Structural Information

Molecular Formula
C13H18ClN
SMILES
C1CCC(CC1)C(C2=CC=CC=C2Cl)N
InChI
InChI=1S/C13H18ClN/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7,15H2
InChIKey
FWRNUXHNMGIFRA-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-cyclohexylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 151.5
[M+Na]+ 246.101998 156.1
[M-H]- 222.105504 156.4
[M+NH4]+ 241.146603 169.6
[M+K]+ 262.075938 151.1
[M+H-H2O]+ 206.110040 145.2
[M+HCOO]- 268.110981 166.7
[M+CH3COO]- 282.126631 190.0
[M+Na-2H]- 244.087446 153.9
[M]+ 223.11223142 146.1
[M]- 223.11332858 146.1
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.