CID 216660

37567-25-2

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: 7
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]+	306.27913	181.5
[M+Na]+	328.26107	184.1
[M-H]-	304.26457	182.6
[M+NH4]+	323.30567	196.0
[M+K]+	344.23501	179.6
[M+H-H2O]+	288.26911	173.3
[M+HCOO]-	350.27005	202.9
[M+CH3COO]-	364.28570	211.8
[M+Na-2H]-	326.24652	182.2
[M]+	305.27130	185.4
[M]-	305.27240	185.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe