CID 71877

Amfepentorex

Structural Information

Molecular Formula

C₁₅H₂₅N

SMILES

CCCCCC1=CC=C(C=C1)CC(C)NC

InChI

InChI=1S/C15H25N/c1-4-5-6-7-14-8-10-15(11-9-14)12-13(2)16-3/h8-11,13,16H,4-7,12H2,1-3H3

InChIKey

XWNBHORZFYYYIJ-UHFFFAOYSA-N

Compound name

N-methyl-1-(4-pentylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 102
Patents: 219.1987 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.205976	155.9
[M+Na]+	242.187918	160.5
[M-H]-	218.191424	158.7
[M+NH4]+	237.232523	174.3
[M+K]+	258.161858	157.6
[M+H-H2O]+	202.195960	149.1
[M+HCOO]-	264.196901	178.4
[M+CH3COO]-	278.212551	196.3
[M+Na-2H]-	240.173366	159.1
[M]+	219.19815142	156.9
[M]-	219.19924858	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe