CID 40539

Quisqualic acid

Structural Information

Molecular Formula
C5H7N3O5
SMILES
C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1
InChI
InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
InChIKey
ASNFTDCKZKHJSW-REOHCLBHSA-N
Compound name
(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1490
References

5294
Patents

189.03857 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04585 134.1
[M+Na]+ 212.02779 143.0
[M-H]- 188.03129 133.6
[M+NH4]+ 207.07239 149.5
[M+K]+ 228.00173 142.5
[M+H-H2O]+ 172.03583 127.5
[M+HCOO]- 234.03677 154.1
[M+CH3COO]- 248.05242 176.7
[M+Na-2H]- 210.01324 137.4
[M]+ 189.03802 133.8
[M]- 189.03912 133.8
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