CID 76205

1-dodecanamine, n-dodecyl-n-methyl-

Structural Information

Molecular Formula

C₂₅H₅₃N

SMILES

CCCCCCCCCCCCN(C)CCCCCCCCCCCC

InChI

InChI=1S/C25H53N/c1-4-6-8-10-12-14-16-18-20-22-24-26(3)25-23-21-19-17-15-13-11-9-7-5-2/h4-25H2,1-3H3

InChIKey

UWHRNIXHZAWBMF-UHFFFAOYSA-N

Compound name

N-dodecyl-N-methyldodecan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3717
Patents: 367.4178 Da
Monoisotopic Mass: 11.4
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]+	368.42508	209.1
[M+Na]+	390.40702	207.8
[M-H]-	366.41052	207.1
[M+NH4]+	385.45162	222.2
[M+K]+	406.38096	203.8
[M+H-H2O]+	350.41506	200.5
[M+HCOO]-	412.41600	228.1
[M+CH3COO]-	426.43165	232.6
[M+Na-2H]-	388.39247	205.4
[M]+	367.41725	218.1
[M]-	367.41835	218.1

Literature stripe

literature stripe

Patent stripe

patents stripe