CID 66022

Trihexylamine

Structural Information

Molecular Formula

C₁₈H₃₉N

SMILES

CCCCCCN(CCCCCC)CCCCCC

InChI

InChI=1S/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3

InChIKey

DIAIBWNEUYXDNL-UHFFFAOYSA-N

Compound name

N,N-dihexylhexan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 27563
Patents: 269.30826 Da
Monoisotopic Mass: 7.3
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]+	270.31554	175.2
[M+Na]+	292.29748	183.3
[M+NH4]+	287.34208	182.4
[M+K]+	308.27142	174.4
[M-H]-	268.30098	176.0
[M+Na-2H]-	290.28293	177.2
[M]+	269.30771	176.4
[M]-	269.30881	176.4

Literature stripe

literature stripe

Patent stripe

patents stripe