CID 136306228

5-hydroxy-1-methyl-1h-1,2,4-triazole-3-carboxylic acid

Structural Information

Molecular Formula
C4H5N3O3
SMILES
CN1C(=O)NC(=N1)C(=O)O
InChI
InChI=1S/C4H5N3O3/c1-7-4(10)5-2(6-7)3(8)9/h1H3,(H,8,9)(H,5,6,10)
InChIKey
PWELPWHVKYHTOK-UHFFFAOYSA-N
Compound name
1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

143.0331 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.040376 124.7
[M+Na]+ 166.022318 135.3
[M-H]- 142.025824 122.7
[M+NH4]+ 161.066923 142.8
[M+K]+ 181.996258 133.5
[M+H-H2O]+ 126.030360 118.2
[M+HCOO]- 188.031301 144.7
[M+CH3COO]- 202.046951 167.1
[M+Na-2H]- 164.007766 129.3
[M]+ 143.03255142 124.2
[M]- 143.03364858 124.2
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