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

39
Patents

143.99934 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.00662 125.0
[M+Na]+ 166.98856 135.3
[M-H]- 142.99206 125.8
[M+NH4]+ 162.03316 145.7
[M+K]+ 182.96250 133.8
[M+H-H2O]+ 126.99660 119.3
[M+HCOO]- 188.99754 142.3
[M+CH3COO]- 203.01319 168.1
[M+Na-2H]- 164.97401 127.4
[M]+ 143.99879 127.2
[M]- 143.99989 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