CID 87983

19247-05-3

Structural Information

Molecular Formula

C₄H₈N₂O₄

SMILES

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

InChI

InChI=1S/C4H8N2O4/c5-6(1-3(7)8)2-4(9)10/h1-2,5H2,(H,7,8)(H,9,10)

InChIKey

QQQMJWSOHKTWDZ-UHFFFAOYSA-N

Compound name

2-[amino(carboxymethyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1291
Patents: 148.0484 Da
Monoisotopic Mass: -5.9
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]+	149.05568	129.0
[M+Na]+	171.03762	134.6
[M+NH4]+	166.08222	133.8
[M+K]+	187.01156	133.9
[M-H]-	147.04112	126.1
[M+Na-2H]-	169.02307	129.6
[M]+	148.04785	128.1
[M]-	148.04895	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe