CID 23062295

Ethyl 1,3,4-thiadiazole-2-carboxylate

Structural Information

Molecular Formula

C₅H₆N₂O₂S

SMILES

CCOC(=O)C1=NN=CS1

InChI

InChI=1S/C5H6N2O2S/c1-2-9-5(8)4-7-6-3-10-4/h3H,2H2,1H3

InChIKey

LFGGFUHHUHIYPR-UHFFFAOYSA-N

Compound name

ethyl 1,3,4-thiadiazole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 158.015 Da
Monoisotopic Mass: 0.9
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]+	159.02228	131.5
[M+Na]+	181.00422	142.0
[M+NH4]+	176.04882	139.1
[M+K]+	196.97816	137.1
[M-H]-	157.00772	131.1
[M+Na-2H]-	178.98967	135.9
[M]+	158.01445	133.1
[M]-	158.01555	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe