CID 7576666

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

Structural Information

Molecular Formula

C₅H₆N₂O₂S

SMILES

CC1=C(SN=N1)C(=O)OC

InChI

InChI=1S/C5H6N2O2S/c1-3-4(5(8)9-2)10-7-6-3/h1-2H3

InChIKey

DHWHVXWZHNDIDB-UHFFFAOYSA-N

Compound name

methyl 4-methylthiadiazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 158.015 Da
Monoisotopic Mass: 1.0
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]+	159.022276	129.0
[M+Na]+	181.004218	139.5
[M-H]-	157.007724	131.1
[M+NH4]+	176.048823	150.0
[M+K]+	196.978158	138.7
[M+H-H2O]+	141.012260	122.9
[M+HCOO]-	203.013201	147.5
[M+CH3COO]-	217.028851	173.1
[M+Na-2H]-	178.989666	131.4
[M]+	158.01445142	133.4
[M]-	158.01554858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe