CID 139038

P-hexadecyloxyaniline

Structural Information

Molecular Formula

C₂₂H₃₉NO

SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)N

InChI

InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(23)17-19-22/h16-19H,2-15,20,23H2,1H3

InChIKey

DETPMDIIFZGDAE-UHFFFAOYSA-N

Compound name

4-hexadecoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 333.30316 Da
Monoisotopic Mass: 9.1
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]+	334.31044	190.3
[M+Na]+	356.29238	192.1
[M-H]-	332.29588	191.0
[M+NH4]+	351.33698	203.7
[M+K]+	372.26632	187.0
[M+H-H2O]+	316.30042	181.7
[M+HCOO]-	378.30136	211.1
[M+CH3COO]-	392.31701	217.8
[M+Na-2H]-	354.27783	190.0
[M]+	333.30261	195.0
[M]-	333.30371	195.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe