CID 75144733

2-amino-4-oxalooxybutanoic acid

Structural Information

Molecular Formula
C6H9NO6
SMILES
C(COC(=O)C(=O)O)C(C(=O)O)N
InChI
InChI=1S/C6H9NO6/c7-3(4(8)9)1-2-13-6(12)5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)
InChIKey
VKKDEHWBBKSWQQ-UHFFFAOYSA-N
Compound name
2-amino-4-oxalooxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

191.04298 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05026 137.8
[M+Na]+ 214.03220 143.0
[M-H]- 190.03570 134.8
[M+NH4]+ 209.07680 154.7
[M+K]+ 230.00614 143.7
[M+H-H2O]+ 174.04024 132.5
[M+HCOO]- 236.04118 156.9
[M+CH3COO]- 250.05683 178.5
[M+Na-2H]- 212.01765 138.0
[M]+ 191.04243 137.1
[M]- 191.04353 137.1
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