CID 118678

Lauryl aminopropylglycine

Structural Information

Molecular Formula

C₁₇H₃₆N₂O₂

SMILES

CCCCCCCCCCCCNCCCNCC(=O)O

InChI

InChI=1S/C17H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19-16-17(20)21/h18-19H,2-16H2,1H3,(H,20,21)

InChIKey

FDKNTODVCFVEDJ-UHFFFAOYSA-N

Compound name

2-[3-(dodecylamino)propylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 526
Patents: 300.27768 Da
Monoisotopic Mass: 2.6
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]+	301.284956	180.8
[M+Na]+	323.266898	181.1
[M-H]-	299.270404	177.4
[M+NH4]+	318.311503	194.5
[M+K]+	339.240838	177.9
[M+H-H2O]+	283.274940	173.1
[M+HCOO]-	345.275881	201.1
[M+CH3COO]-	359.291531	211.5
[M+Na-2H]-	321.252346	180.7
[M]+	300.27713142	184.1
[M]-	300.27822858	184.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe