CID 135421447

Lithium(1+) 2-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)acetate

Structural Information

Molecular Formula
C4H4N2O4
SMILES
C(C1=NOC(=O)N1)C(=O)O
InChI
InChI=1S/C4H4N2O4/c7-3(8)1-2-5-4(9)10-6-2/h1H2,(H,7,8)(H,5,6,9)
InChIKey
ZHTASSDRQKMHOB-UHFFFAOYSA-N
Compound name
2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.0171 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.02438 122.9
[M+Na]+ 167.00632 132.5
[M-H]- 143.00982 122.5
[M+NH4]+ 162.05092 140.6
[M+K]+ 182.98026 132.2
[M+H-H2O]+ 127.01436 116.8
[M+HCOO]- 189.01530 143.5
[M+CH3COO]- 203.03095 165.1
[M+Na-2H]- 164.99177 129.2
[M]+ 144.01655 123.6
[M]- 144.01765 123.6
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.