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]+ 244.205976 162.0
[M+Na]+ 266.187918 165.4
[M-H]- 242.191424 168.9
[M+NH4]+ 261.232523 181.3
[M+K]+ 282.161858 162.5
[M+H-H2O]+ 226.195960 154.5
[M+HCOO]- 288.196901 184.0
[M+CH3COO]- 302.212551 201.1
[M+Na-2H]- 264.173366 161.6
[M]+ 243.19815142 159.6
[M]- 243.19924858 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.