CID 60820171

(3-chlorophenyl)(cyclohexyl)methanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.11278 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12006 151.5
[M+Na]+ 246.10200 156.1
[M-H]- 222.10550 156.4
[M+NH4]+ 241.14660 169.6
[M+K]+ 262.07594 151.1
[M+H-H2O]+ 206.11004 145.2
[M+HCOO]- 268.11098 166.7
[M+CH3COO]- 282.12663 190.0
[M+Na-2H]- 244.08745 153.9
[M]+ 223.11223 146.1
[M]- 223.11333 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

patents stripe