CID 23106113

50765-07-6

Structural Information

Molecular Formula
C14H21N
SMILES
C1CCC(CC1)(CCC2=CC=CC=C2)N
InChI
InChI=1S/C14H21N/c15-14(10-5-2-6-11-14)12-9-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12,15H2
InChIKey
DJBIHDGQDKHFKB-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

203.1674 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 149.0
[M+Na]+ 226.156618 152.6
[M-H]- 202.160124 153.9
[M+NH4]+ 221.201223 168.8
[M+K]+ 242.130558 149.1
[M+H-H2O]+ 186.164660 141.9
[M+HCOO]- 248.165601 169.5
[M+CH3COO]- 262.181251 186.8
[M+Na-2H]- 224.142066 154.3
[M]+ 203.16685142 142.3
[M]- 203.16794858 142.3
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