CID 12917739

77528-46-2

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S

SMILES

CCOC(=O)C1CCCC2=C1N=CS2

InChI

InChI=1S/C10H13NO2S/c1-2-13-10(12)7-4-3-5-8-9(7)11-6-14-8/h6-7H,2-5H2,1H3

InChIKey

CZWCQRFMTZHZLB-UHFFFAOYSA-N

Compound name

ethyl 4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 211.0667 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]+	212.07398	145.5
[M+Na]+	234.05592	155.7
[M+NH4]+	229.10052	154.4
[M+K]+	250.02986	149.6
[M-H]-	210.05942	146.6
[M+Na-2H]-	232.04137	148.9
[M]+	211.06615	147.5
[M]-	211.06725	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe