CID 18179553

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

Structural Information

Molecular Formula

C₄H₄N₂O₂S

SMILES

C1=C(N=NS1)CC(=O)O

InChI

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

InChIKey

ZSAROPYHJCBWKE-UHFFFAOYSA-N

Compound name

2-(thiadiazol-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 143.99934 Da
Monoisotopic Mass: -0.1
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]+	145.00662	125.4
[M+Na]+	166.98856	134.8
[M-H]-	142.99206	125.7
[M+NH4]+	162.03316	145.8
[M+K]+	182.96250	133.4
[M+H-H2O]+	126.99660	119.3
[M+HCOO]-	188.99754	142.7
[M+CH3COO]-	203.01319	167.0
[M+Na-2H]-	164.97401	128.4
[M]+	143.99879	127.1
[M]-	143.99989	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe