CID 18157

Didodecylamine

Structural Information

Molecular Formula

C₂₄H₅₁N

SMILES

CCCCCCCCCCCCNCCCCCCCCCCCC

InChI

InChI=1S/C24H51N/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3

InChIKey

MJCJUDJQDGGKOX-UHFFFAOYSA-N

Compound name

N-dodecyldodecan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 12209
Patents: 353.40216 Da
Monoisotopic Mass: 11.0
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]+	354.409436	203.1
[M+Na]+	376.391378	201.9
[M-H]-	352.394884	199.8
[M+NH4]+	371.435983	216.1
[M+K]+	392.365318	196.9
[M+H-H2O]+	336.399420	194.9
[M+HCOO]-	398.400361	221.9
[M+CH3COO]-	412.416011	226.3
[M+Na-2H]-	374.376826	200.8
[M]+	353.40161142	210.5
[M]-	353.40270858	210.5

Literature stripe

literature stripe

Patent stripe

patents stripe