CID 81880

N-methyldidecylamine

Structural Information

Molecular Formula

C₂₁H₄₅N

SMILES

CCCCCCCCCCN(C)CCCCCCCCCC

InChI

InChI=1S/C21H45N/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3

InChIKey

ATBNMWWDBWBAHM-UHFFFAOYSA-N

Compound name

N-decyl-N-methyldecan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5484
Patents: 311.3552 Da
Monoisotopic Mass: 9.3
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]+	312.36248	191.5
[M+Na]+	334.34442	191.8
[M-H]-	310.34792	190.4
[M+NH4]+	329.38902	206.9
[M+K]+	350.31836	189.0
[M+H-H2O]+	294.35246	183.7
[M+HCOO]-	356.35340	211.8
[M+CH3COO]-	370.36905	220.8
[M+Na-2H]-	332.32987	189.9
[M]+	311.35465	199.0
[M]-	311.35575	199.0

Literature stripe

literature stripe

Patent stripe

patents stripe