CID 44784984

Ethyl 5-methyl-1,3,4-thiadiazole-2-carboxylate

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

CCOC(=O)C1=NN=C(S1)C

InChI

InChI=1S/C6H8N2O2S/c1-3-10-6(9)5-8-7-4(2)11-5/h3H2,1-2H3

InChIKey

VMVKZLLIEGQHEE-UHFFFAOYSA-N

Compound name

ethyl 5-methyl-1,3,4-thiadiazole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 172.03065 Da
Monoisotopic Mass: 1.3
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]+	173.03793	136.0
[M+Na]+	195.01987	146.6
[M+NH4]+	190.06447	143.5
[M+K]+	210.99381	141.8
[M-H]-	171.02337	135.7
[M+Na-2H]-	193.00532	139.9
[M]+	172.03010	137.6
[M]-	172.03120	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe