CID 6454343

62099-15-4

Structural Information

Molecular Formula

C₈H₁₆N₂O₅

SMILES

C(CN(CCO)CC(=O)O)NCC(=O)O

InChI

InChI=1S/C8H16N2O5/c11-4-3-10(6-8(14)15)2-1-9-5-7(12)13/h9,11H,1-6H2,(H,12,13)(H,14,15)

InChIKey

GGPOOYCXZKBMSR-UHFFFAOYSA-N

Compound name

2-[2-[carboxymethyl(2-hydroxyethyl)amino]ethylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 220.10593 Da
Monoisotopic Mass: -6.2
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]+	221.11321	148.3
[M+Na]+	243.09515	151.6
[M-H]-	219.09865	145.2
[M+NH4]+	238.13975	164.0
[M+K]+	259.06909	151.8
[M+H-H2O]+	203.10319	142.0
[M+HCOO]-	265.10413	168.9
[M+CH3COO]-	279.11978	189.3
[M+Na-2H]-	241.08060	150.0
[M]+	220.10538	148.6
[M]-	220.10648	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe