CID 216660

Benzeneethanamine, 4-(dodecyloxy)-, hydrochloride

Structural Information

Molecular Formula

C₂₀H₃₅NO

SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CCN

InChI

InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-18-22-20-14-12-19(13-15-20)16-17-21/h12-15H,2-11,16-18,21H2,1H3

InChIKey

WUXPGXIAMDMUTK-UHFFFAOYSA-N

Compound name

2-(4-dodecoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 305.27185 Da
Monoisotopic Mass: 6.8
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]+	306.279126	181.5
[M+Na]+	328.261068	184.1
[M-H]-	304.264574	182.6
[M+NH4]+	323.305673	196.0
[M+K]+	344.235008	179.6
[M+H-H2O]+	288.269110	173.3
[M+HCOO]-	350.270051	202.9
[M+CH3COO]-	364.285701	211.8
[M+Na-2H]-	326.246516	182.2
[M]+	305.27130142	185.4
[M]-	305.27239858	185.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe