CID 11063985

92511-22-3

Structural Information

Molecular Formula

C₈H₁₅NO₆

SMILES

C(COCCO)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C8H15NO6/c10-2-4-15-3-1-9(5-7(11)12)6-8(13)14/h10H,1-6H2,(H,11,12)(H,13,14)

InChIKey

KWIQAPHZTBNXCB-UHFFFAOYSA-N

Compound name

2-[carboxymethyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 221.08994 Da
Monoisotopic Mass: -3.7
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]+	222.09722	148.0
[M+Na]+	244.07916	152.9
[M+NH4]+	239.12376	151.3
[M+K]+	260.05310	152.1
[M-H]-	220.08266	143.3
[M+Na-2H]-	242.06461	146.9
[M]+	221.08939	146.5
[M]-	221.09049	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe