CID 3066892

N-allyl-n-methyl-1-(4-cyclopentylphenyl)ethylamine hydrochloride

Structural Information

Molecular Formula
C17H25N
SMILES
CC(C1=CC=C(C=C1)C2CCCC2)N(C)CC=C
InChI
InChI=1S/C17H25N/c1-4-13-18(3)14(2)15-9-11-17(12-10-15)16-7-5-6-8-16/h4,9-12,14,16H,1,5-8,13H2,2-3H3
InChIKey
ZYQKNVJKRNLGJN-UHFFFAOYSA-N
Compound name
N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1987 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20598 162.0
[M+Na]+ 266.18792 165.4
[M-H]- 242.19142 168.9
[M+NH4]+ 261.23252 181.3
[M+K]+ 282.16186 162.5
[M+H-H2O]+ 226.19596 154.5
[M+HCOO]- 288.19690 184.0
[M+CH3COO]- 302.21255 201.1
[M+Na-2H]- 264.17337 161.6
[M]+ 243.19815 159.6
[M]- 243.19925 159.6
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

No patent data available for this compound.