CID 118109

33872-70-7

Structural Information

Molecular Formula

C₈H₁₄N₂O₇

SMILES

C(C(NCC(=O)O)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C8H14N2O7/c11-5(9-1-6(12)13)2-10(3-7(14)15)4-8(16)17/h5,9,11H,1-4H2,(H,12,13)(H,14,15)(H,16,17)

InChIKey

FSRYXNMJLCNZSB-UHFFFAOYSA-N

Compound name

2-[[2-[bis(carboxymethyl)amino]-1-hydroxyethyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1559
Patents: 250.0801 Da
Monoisotopic Mass: -6.5
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]+	251.08738	153.4
[M+Na]+	273.06932	155.3
[M+NH4]+	268.11392	154.7
[M+K]+	289.04326	157.4
[M-H]-	249.07282	147.1
[M+Na-2H]-	271.05477	150.1
[M]+	250.07955	150.7
[M]-	250.08065	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe