CID 21479

Acetamidooxyacetic acid

Structural Information

Molecular Formula
C4H7NO4
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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.044776 123.7
[M+Na]+ 156.026718 130.5
[M-H]- 132.030224 122.9
[M+NH4]+ 151.071323 144.3
[M+K]+ 172.000658 131.4
[M+H-H2O]+ 116.034760 118.9
[M+HCOO]- 178.035701 147.0
[M+CH3COO]- 192.051351 170.6
[M+Na-2H]- 154.012166 129.0
[M]+ 133.03695142 124.4
[M]- 133.03804858 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe