CID 25247346

183303-71-1

Structural Information

Molecular Formula

C₆H₆N₂O₂S

SMILES

C1CC1C2=C(SN=N2)C(=O)O

InChI

InChI=1S/C6H6N2O2S/c9-6(10)5-4(3-1-2-3)7-8-11-5/h3H,1-2H2,(H,9,10)

InChIKey

GEHOAZWKIZPUKF-UHFFFAOYSA-N

Compound name

4-cyclopropylthiadiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 170.015 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	171.02228	133.5
[M+Na]+	193.00422	144.6
[M-H]-	169.00772	137.8
[M+NH4]+	188.04882	148.1
[M+K]+	208.97816	140.9
[M+H-H2O]+	153.01226	126.8
[M+HCOO]-	215.01320	150.7
[M+CH3COO]-	229.02885	176.3
[M+Na-2H]-	190.98967	135.3
[M]+	170.01445	137.3
[M]-	170.01555	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe