CID 21479

Acetamidooxyacetic acid

Structural Information

Molecular Formula

SMILES

CC(=O)NOCC(=O)O

InChI

InChI=1S/C4H7NO4/c1-3(6)5-9-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)

InChIKey

ONKKMSVOTHQXSC-UHFFFAOYSA-N

Compound name

2-acetamidooxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 133.0375 Da
Monoisotopic Mass: -0.8
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]+	134.04478	123.7
[M+Na]+	156.02672	130.5
[M-H]-	132.03022	122.9
[M+NH4]+	151.07132	144.3
[M+K]+	172.00066	131.4
[M+H-H2O]+	116.03476	118.9
[M+HCOO]-	178.03570	147.0
[M+CH3COO]-	192.05135	170.6
[M+Na-2H]-	154.01217	129.0
[M]+	133.03695	124.4
[M]-	133.03805	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe