CID 3017700

(2-((1-oxododecyl)amino)ethoxy)acetic acid

Structural Information

Molecular Formula

C₁₆H₃₁NO₄

SMILES

CCCCCCCCCCCC(=O)NCCOCC(=O)O

InChI

InChI=1S/C16H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-12-13-21-14-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)

InChIKey

CREQKGNXXKHRKU-UHFFFAOYSA-N

Compound name

2-[2-(dodecanoylamino)ethoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 301.2253 Da
Monoisotopic Mass: 4.1
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]+	302.232576	178.4
[M+Na]+	324.214518	180.1
[M-H]-	300.218024	175.3
[M+NH4]+	319.259123	192.3
[M+K]+	340.188458	178.0
[M+H-H2O]+	284.222560	171.3
[M+HCOO]-	346.223501	197.7
[M+CH3COO]-	360.239151	206.7
[M+Na-2H]-	322.199966	177.4
[M]+	301.22475142	183.6
[M]-	301.22584858	183.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe