CID 4426313

N-methyldihexylamine

Structural Information

Molecular Formula

C₁₃H₂₉N

SMILES

CCCCCCN(C)CCCCCC

InChI

InChI=1S/C13H29N/c1-4-6-8-10-12-14(3)13-11-9-7-5-2/h4-13H2,1-3H3

InChIKey

POMGZMHIXYRARC-UHFFFAOYSA-N

Compound name

N-hexyl-N-methylhexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2343
Patents: 199.23 Da
Monoisotopic Mass: 4.9
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]+	200.237276	155.3
[M+Na]+	222.219218	158.9
[M-H]-	198.222724	155.7
[M+NH4]+	217.263823	175.3
[M+K]+	238.193158	158.3
[M+H-H2O]+	182.227260	149.1
[M+HCOO]-	244.228201	178.3
[M+CH3COO]-	258.243851	196.9
[M+Na-2H]-	220.204666	158.0
[M]+	199.22945142	159.7
[M]-	199.23054858	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe