CID 19813622

Lithium(1+)2-(1,2,4-thiadiazol-3-yl)acetate

Structural Information

Molecular Formula

C₄H₄N₂O₂S

SMILES

C1=NC(=NS1)CC(=O)O

InChI

InChI=1S/C4H4N2O2S/c7-4(8)1-3-5-2-9-6-3/h2H,1H2,(H,7,8)

InChIKey

IZADTQWFLLRFID-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 143.99934 Da
Monoisotopic Mass: 0.3
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]+	145.00662	127.2
[M+Na]+	166.98856	137.3
[M+NH4]+	162.03316	134.6
[M+K]+	182.96250	133.0
[M-H]-	142.99206	126.3
[M+Na-2H]-	164.97401	131.2
[M]+	143.99879	128.5
[M]-	143.99989	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe