CID 96645

43016-78-0

Structural Information

Molecular Formula

C₁₈H₃₇NO₂

SMILES

CCCCCCCCCCCCCC(=O)OCCN(C)C

InChI

InChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19(2)3/h4-17H2,1-3H3

InChIKey

WVTLMDGNANZSAT-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl tetradecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 49
Patents: 299.28244 Da
Monoisotopic Mass: 6.4
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]+	300.289716	183.6
[M+Na]+	322.271658	185.2
[M-H]-	298.275164	183.1
[M+NH4]+	317.316263	199.3
[M+K]+	338.245598	184.0
[M+H-H2O]+	282.279700	176.1
[M+HCOO]-	344.280641	204.6
[M+CH3COO]-	358.296291	214.8
[M+Na-2H]-	320.257106	182.3
[M]+	299.28189142	191.3
[M]-	299.28298858	191.3

Literature stripe

literature stripe

Patent stripe

patents stripe