CID 216649

Benzeneethanamine, 4-(hexyloxy)-, hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₃NO

SMILES

CCCCCCOC1=CC=C(C=C1)CCN

InChI

InChI=1S/C14H23NO/c1-2-3-4-5-12-16-14-8-6-13(7-9-14)10-11-15/h6-9H,2-5,10-12,15H2,1H3

InChIKey

DMAAELNOXQOFCP-UHFFFAOYSA-N

Compound name

2-(4-hexoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 221.17796 Da
Monoisotopic Mass: 3.5
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]+	222.185236	154.3
[M+Na]+	244.167178	159.7
[M-H]-	220.170684	156.7
[M+NH4]+	239.211783	172.4
[M+K]+	260.141118	156.6
[M+H-H2O]+	204.175220	147.5
[M+HCOO]-	266.176161	177.9
[M+CH3COO]-	280.191811	193.8
[M+Na-2H]-	242.152626	158.4
[M]+	221.17741142	156.1
[M]-	221.17850858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe