CID 154577385

2418677-94-6

Structural Information

Molecular Formula

C₅H₆N₂O₃S

SMILES

COC1=NN=C(S1)CC(=O)O

InChI

InChI=1S/C5H6N2O3S/c1-10-5-7-6-3(11-5)2-4(8)9/h2H2,1H3,(H,8,9)

InChIKey

BXHZXPDGOAIYJQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 174.00992 Da
Monoisotopic Mass: 0.2
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]+	175.01720	135.0
[M+Na]+	196.99914	144.7
[M+NH4]+	192.04374	141.6
[M+K]+	212.97308	140.9
[M-H]-	173.00264	133.6
[M+Na-2H]-	194.98459	138.0
[M]+	174.00937	136.0
[M]-	174.01047	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.