CID 45076179

Potassium 5-methyl-1,3,4-thiadiazole-2-carboxylate

Structural Information

Molecular Formula
C4H4N2O2S
SMILES
CC1=NN=C(S1)C(=O)O
InChI
InChI=1S/C4H4N2O2S/c1-2-5-6-3(9-2)4(7)8/h1H3,(H,7,8)
InChIKey
JQLASBNYQPPBCN-UHFFFAOYSA-N
Compound name
5-methyl-1,3,4-thiadiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

143.99934 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.006616 125.0
[M+Na]+ 166.988558 135.3
[M-H]- 142.992064 125.8
[M+NH4]+ 162.033163 145.7
[M+K]+ 182.962498 133.8
[M+H-H2O]+ 126.996600 119.3
[M+HCOO]- 188.997541 142.3
[M+CH3COO]- 203.013191 168.1
[M+Na-2H]- 164.974006 127.4
[M]+ 143.99879142 127.2
[M]- 143.99988858 127.2
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