CID 12792584

84636-33-9

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

CNC1=C(N=CS1)C(=O)OC

InChI

InChI=1S/C6H8N2O2S/c1-7-5-4(6(9)10-2)8-3-11-5/h3,7H,1-2H3

InChIKey

INQFUFJEKDAJER-UHFFFAOYSA-N

Compound name

methyl 5-(methylamino)-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 172.03065 Da
Monoisotopic Mass: 2.0
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]+	173.037926	133.7
[M+Na]+	195.019868	142.6
[M-H]-	171.023374	136.8
[M+NH4]+	190.064473	155.0
[M+K]+	210.993808	141.4
[M+H-H2O]+	155.027910	127.6
[M+HCOO]-	217.028851	154.0
[M+CH3COO]-	231.044501	178.1
[M+Na-2H]-	193.005316	136.2
[M]+	172.03010142	137.0
[M]-	172.03119858	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe