CID 82411882

2839139-12-5

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

CCC1=NSC(=N1)CC(=O)O

InChI

InChI=1S/C6H8N2O2S/c1-2-4-7-5(11-8-4)3-6(9)10/h2-3H2,1H3,(H,9,10)

InChIKey

XXSNMGZGRFRAPV-UHFFFAOYSA-N

Compound name

2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.03065 Da
Monoisotopic Mass: 1.1
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	146.0
[M+NH4]+	190.06447	143.1
[M+K]+	210.99381	141.5
[M-H]-	171.02337	135.1
[M+Na-2H]-	193.00532	139.3
[M]+	172.03010	137.3
[M]-	172.03120	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.