CID 6452025

N,n-dimethylicosylamine

Structural Information

Molecular Formula

C₂₂H₄₇N

SMILES

CCCCCCCCCCCCCCCCCCCCN(C)C

InChI

InChI=1S/C22H47N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)3/h4-22H2,1-3H3

InChIKey

AYNZRGVSQNDHIX-UHFFFAOYSA-N

Compound name

N,N-dimethylicosan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 849
Patents: 325.37085 Da
Monoisotopic Mass: 10.2
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]+	326.37813	196.0
[M+Na]+	348.36007	195.8
[M-H]-	324.36357	194.6
[M+NH4]+	343.40467	210.8
[M+K]+	364.33401	192.7
[M+H-H2O]+	308.36811	187.9
[M+HCOO]-	370.36905	215.9
[M+CH3COO]-	384.38470	223.8
[M+Na-2H]-	346.34552	193.8
[M]+	325.37030	203.8
[M]-	325.37140	203.8

Literature stripe

literature stripe

Patent stripe

patents stripe