CID 3021778

Cyclohexylamine, n-allyl-n-ethyl-1-phenyl-, hydrochloride

Structural Information

Molecular Formula
C17H25N
SMILES
CCN(CC=C)C1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C17H25N/c1-3-15-18(4-2)17(13-9-6-10-14-17)16-11-7-5-8-12-16/h3,5,7-8,11-12H,1,4,6,9-10,13-15H2,2H3
InChIKey
WLXNXBJFLLQZLF-UHFFFAOYSA-N
Compound name
N-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.1987 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20598 160.7
[M+Na]+ 266.18792 163.4
[M-H]- 242.19142 167.1
[M+NH4]+ 261.23252 179.7
[M+K]+ 282.16186 160.4
[M+H-H2O]+ 226.19596 152.8
[M+HCOO]- 288.19690 181.4
[M+CH3COO]- 302.21255 199.1
[M+Na-2H]- 264.17337 164.6
[M]+ 243.19815 156.5
[M]- 243.19925 156.5
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

No patent data available for this compound.