CID 3052543

68968-10-5

Structural Information

Molecular Formula
C14H21N
SMILES
C1CCC(CC1)C(CC2=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/h1,3-4,7-8,13-14H,2,5-6,9-11,15H2
InChIKey
PAAMSJPFJXVEGL-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

203.1674 Da
Monoisotopic Mass

3.7
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

No literature data available for this compound.

Patent stripe

patents stripe