CID 207824

30831-95-9

Structural Information

Molecular Formula

C₁₁H₁₃NO₃S

SMILES

CCOC(=O)N1C(SC2=CC=CC=C21)OC

InChI

InChI=1S/C11H13NO3S/c1-3-15-10(13)12-8-6-4-5-7-9(8)16-11(12)14-2/h4-7,11H,3H2,1-2H3

InChIKey

YGLSNMHTEFSREI-UHFFFAOYSA-N

Compound name

ethyl 2-methoxy-2H-1,3-benzothiazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.06161 Da
Monoisotopic Mass: 2.5
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]+	240.068886	151.5
[M+Na]+	262.050828	160.5
[M-H]-	238.054334	155.2
[M+NH4]+	257.095433	171.8
[M+K]+	278.024768	158.5
[M+H-H2O]+	222.058870	145.8
[M+HCOO]-	284.059811	168.2
[M+CH3COO]-	298.075461	188.5
[M+Na-2H]-	260.036276	153.0
[M]+	239.06106142	157.0
[M]-	239.06215858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.