CID 71695424

1445950-78-6

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
CC(C)C1=C(N=NS1)C(=O)O
InChI
InChI=1S/C6H8N2O2S/c1-3(2)5-4(6(9)10)7-8-11-5/h3H,1-2H3,(H,9,10)
InChIKey
FQXHCVGEIKERNE-UHFFFAOYSA-N
Compound name
5-propan-2-ylthiadiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

172.03065 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.037926 134.1
[M+Na]+ 195.019868 143.2
[M-H]- 171.023374 134.6
[M+NH4]+ 190.064473 153.6
[M+K]+ 210.993808 141.8
[M+H-H2O]+ 155.027910 128.1
[M+HCOO]- 217.028851 149.7
[M+CH3COO]- 231.044501 175.0
[M+Na-2H]- 193.005316 134.5
[M]+ 172.03010142 136.4
[M]- 172.03119858 136.4
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