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]+ 134.04478 125.1
[M+Na]+ 156.02672 131.2
[M-H]- 132.03022 122.4
[M+NH4]+ 151.07132 144.6
[M+K]+ 172.00066 131.3
[M+H-H2O]+ 116.03476 120.5
[M+HCOO]- 178.03570 145.2
[M+CH3COO]- 192.05135 169.2
[M+Na-2H]- 154.01217 127.4
[M]+ 133.03695 122.3
[M]- 133.03805 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.