CID 23296782

Schembl4831575

Structural Information

Molecular Formula

C₁₆H₃₄N₂O₂

SMILES

CCCCCCCCCCCCN(CCN)CC(=O)O

InChI

InChI=1S/C16H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-18(14-12-17)15-16(19)20/h2-15,17H2,1H3,(H,19,20)

InChIKey

URHAKDFUJWRPEH-UHFFFAOYSA-N

Compound name

2-[2-aminoethyl(dodecyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 286.26202 Da
Monoisotopic Mass: 2.2
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]+	287.269296	178.0
[M+Na]+	309.251238	179.0
[M-H]-	285.254744	175.8
[M+NH4]+	304.295843	192.7
[M+K]+	325.225178	177.1
[M+H-H2O]+	269.259280	170.4
[M+HCOO]-	331.260221	198.5
[M+CH3COO]-	345.275871	211.2
[M+Na-2H]-	307.236686	176.5
[M]+	286.26147142	181.2
[M]-	286.26256858	181.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe