CID 71757559

2-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-4-yl)acetic acid

Structural Information

Molecular Formula
C4H5N3O3
SMILES
C1=NNC(=O)N1CC(=O)O
InChI
InChI=1S/C4H5N3O3/c8-3(9)1-7-2-5-6-4(7)10/h2H,1H2,(H,6,10)(H,8,9)
InChIKey
OIVFVZXRMPZYJT-UHFFFAOYSA-N
Compound name
2-(5-oxo-1H-1,2,4-triazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.0331 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.040376 124.9
[M+Na]+ 166.022318 134.5
[M-H]- 142.025824 122.5
[M+NH4]+ 161.066923 142.6
[M+K]+ 181.996258 132.8
[M+H-H2O]+ 126.030360 118.0
[M+HCOO]- 188.031301 144.9
[M+CH3COO]- 202.046951 165.9
[M+Na-2H]- 164.007766 130.2
[M]+ 143.03255142 124.0
[M]- 143.03364858 124.0
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.