CID 227170

5931-57-7

Structural Information

Molecular Formula

C₁₆H₃₁NO₄

SMILES

CCCCCCCCCCCCN(CC(=O)O)CC(=O)O

InChI

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

InChIKey

MFMNADOFNGXVAW-UHFFFAOYSA-N

Compound name

2-[carboxymethyl(dodecyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 581
Patents: 301.2253 Da
Monoisotopic Mass: 2.8
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	178.9
[M+Na]+	324.214518	180.3
[M-H]-	300.218024	175.9
[M+NH4]+	319.259123	192.6
[M+K]+	340.188458	178.8
[M+H-H2O]+	284.222560	171.9
[M+HCOO]-	346.223501	197.2
[M+CH3COO]-	360.239151	208.2
[M+Na-2H]-	322.199966	176.6
[M]+	301.22475142	183.6
[M]-	301.22584858	183.6

Literature stripe

literature stripe

Patent stripe

patents stripe