CID 53401310

Schembl284412

Structural Information

Molecular Formula

C₂₀H₄₁N

SMILES

CCCCCCCCCCCCCCCCC=CN(C)C

InChI

InChI=1S/C20H41N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h19-20H,4-18H2,1-3H3

InChIKey

HPKDERDMYRXMGT-UHFFFAOYSA-N

Compound name

N,N-dimethyloctadec-1-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 174
Patents: 295.3239 Da
Monoisotopic Mass: 9.2
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]+	296.331176	185.6
[M+Na]+	318.313118	186.7
[M-H]-	294.316624	184.7
[M+NH4]+	313.357723	201.6
[M+K]+	334.287058	183.5
[M+H-H2O]+	278.321160	178.1
[M+HCOO]-	340.322101	206.4
[M+CH3COO]-	354.337751	216.3
[M+Na-2H]-	316.298566	184.6
[M]+	295.32335142	191.9
[M]-	295.32444858	191.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe