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

13
Patents

203.1674 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 150.2
[M+Na]+ 226.15662 162.1
[M+NH4]+ 221.20122 161.6
[M+K]+ 242.13056 151.7
[M-H]- 202.16012 155.9
[M+Na-2H]- 224.14207 160.0
[M]+ 203.16685 153.7
[M]- 203.16795 153.7
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