CID 82412504

5-cyclopropyl-1,2,3-thiadiazole-4-carboxylic acid

Structural Information

Molecular Formula

C₆H₆N₂O₂S

SMILES

C1CC1C2=C(N=NS2)C(=O)O

InChI

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

InChIKey

DDSNHSMHDHQLHO-UHFFFAOYSA-N

Compound name

5-cyclopropylthiadiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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	138.3
[M+Na]+	193.00422	150.1
[M+NH4]+	188.04882	146.5
[M+K]+	208.97816	146.8
[M-H]-	169.00772	145.7
[M+Na-2H]-	190.98967	145.2
[M]+	170.01445	143.4
[M]-	170.01555	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe