CID 170760

45296-12-6

Structural Information

Molecular Formula

C₂₄H₄₇NO₂

SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCCN(CC)CC

InChI

InChI=1S/C24H47NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25(5-2)6-3/h13-14H,4-12,15-23H2,1-3H3

InChIKey

VWTYZZXUXJVLIO-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl octadec-9-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 13
Patents: 381.3607 Da
Monoisotopic Mass: 8.4
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]+	382.367976	208.9
[M+Na]+	404.349918	208.4
[M-H]-	380.353424	207.3
[M+NH4]+	399.394523	221.2
[M+K]+	420.323858	205.0
[M+H-H2O]+	364.357960	200.4
[M+HCOO]-	426.358901	228.1
[M+CH3COO]-	440.374551	231.0
[M+Na-2H]-	402.335366	204.6
[M]+	381.36015142	218.1
[M]-	381.36124858	218.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe