CID 106688

57229-74-0

Structural Information

Molecular Formula
C4H7NO4
SMILES
C(C(C(=O)O)O)C(=O)N
InChI
InChI=1S/C4H7NO4/c5-3(7)1-2(6)4(8)9/h2,6H,1H2,(H2,5,7)(H,8,9)
InChIKey
RTTYFXMXRFYCHM-UHFFFAOYSA-N
Compound name
4-amino-2-hydroxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

95
Patents

133.0375 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.044776 125.1
[M+Na]+ 156.026718 131.2
[M-H]- 132.030224 122.4
[M+NH4]+ 151.071323 144.6
[M+K]+ 172.000658 131.3
[M+H-H2O]+ 116.034760 120.5
[M+HCOO]- 178.035701 145.2
[M+CH3COO]- 192.051351 169.2
[M+Na-2H]- 154.012166 127.4
[M]+ 133.03695142 122.3
[M]- 133.03804858 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe