CID 10262312

2-cyclohexyl-1-phenylethan-1-amine hydrochloride

Structural Information

Molecular Formula
C14H21N
SMILES
C1CCC(CC1)CC(C2=CC=CC=C2)N
InChI
InChI=1S/C14H21N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h2,5-6,9-10,12,14H,1,3-4,7-8,11,15H2
InChIKey
HFLQIMOFFSZGIH-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

203.1674 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 148.8
[M+Na]+ 226.15662 151.2
[M-H]- 202.16012 153.5
[M+NH4]+ 221.20122 166.6
[M+K]+ 242.13056 147.9
[M+H-H2O]+ 186.16466 141.4
[M+HCOO]- 248.16560 168.3
[M+CH3COO]- 262.18125 188.1
[M+Na-2H]- 224.14207 152.0
[M]+ 203.16685 141.2
[M]- 203.16795 141.2
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