CID 2763305

183302-68-3

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

CC(C)C1=C(SN=N1)C(=O)O

InChI

InChI=1S/C6H8N2O2S/c1-3(2)4-5(6(9)10)11-8-7-4/h3H,1-2H3,(H,9,10)

InChIKey

PKBQERAJZXEWRH-UHFFFAOYSA-N

Compound name

4-propan-2-ylthiadiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 172.03065 Da
Monoisotopic Mass: 1.5
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]+	173.03793	136.0
[M+Na]+	195.01987	145.6
[M+NH4]+	190.06447	142.9
[M+K]+	210.99381	141.9
[M-H]-	171.02337	134.8
[M+Na-2H]-	193.00532	138.9
[M]+	172.03010	137.1
[M]-	172.03120	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe