CID 24703269

1016788-34-3

Structural Information

Molecular Formula

C₇H₁₂N₂O₄

SMILES

CC(=O)NCC(=O)NCCC(=O)O

InChI

InChI=1S/C7H12N2O4/c1-5(10)9-4-6(11)8-3-2-7(12)13/h2-4H2,1H3,(H,8,11)(H,9,10)(H,12,13)

InChIKey

PEEDOBFPBBICBX-UHFFFAOYSA-N

Compound name

3-[(2-acetamidoacetyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 188.07971 Da
Monoisotopic Mass: -1.6
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]+	189.08699	141.6
[M+Na]+	211.06893	146.9
[M+NH4]+	206.11353	145.8
[M+K]+	227.04287	145.2
[M-H]-	187.07243	138.4
[M+Na-2H]-	209.05438	141.7
[M]+	188.07916	140.6
[M]-	188.08026	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe