CID 117021

2-tetradecyloxyaniline

Structural Information

Molecular Formula

C₂₀H₃₅NO

SMILES

CCCCCCCCCCCCCCOC1=CC=CC=C1N

InChI

InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-22-20-17-14-13-16-19(20)21/h13-14,16-17H,2-12,15,18,21H2,1H3

InChIKey

IXZBAJOADDIGIP-UHFFFAOYSA-N

Compound name

2-tetradecoxyaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 134
Patents: 305.27185 Da
Monoisotopic Mass: 7.9
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	181.1
[M+Na]+	328.26107	191.2
[M+NH4]+	323.30567	188.2
[M+K]+	344.23501	181.7
[M-H]-	304.26457	183.7
[M+Na-2H]-	326.24652	185.5
[M]+	305.27130	183.2
[M]-	305.27240	183.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe