CID 76514669

Refchem:822593

Structural Information

Molecular Formula

C₁₄H₂₇NO

SMILES

CCC=CCCCCCCCC(=O)N(C)C

InChI

InChI=1S/C14H27NO/c1-4-5-6-7-8-9-10-11-12-13-14(16)15(2)3/h5-6H,4,7-13H2,1-3H3

InChIKey

XNOAGINMJCWJGH-UHFFFAOYSA-N

Compound name

N,N-dimethyldodec-9-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 225.20926 Da
Monoisotopic Mass: 4.0
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]+	226.216536	160.7
[M+Na]+	248.198478	164.5
[M-H]-	224.201984	161.2
[M+NH4]+	243.243083	179.6
[M+K]+	264.172418	163.3
[M+H-H2O]+	208.206520	154.4
[M+HCOO]-	270.207461	183.1
[M+CH3COO]-	284.223111	199.4
[M+Na-2H]-	246.183926	161.8
[M]+	225.20871142	164.8
[M]-	225.20980858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe