CID 2941514

3-(1,3-benzothiazol-2-yl)-2-methoxypropanoic acid

Structural Information

Molecular Formula
C11H11NO3S
SMILES
COC(CC1=NC2=CC=CC=C2S1)C(=O)O
InChI
InChI=1S/C11H11NO3S/c1-15-8(11(13)14)6-10-12-7-4-2-3-5-9(7)16-10/h2-5,8H,6H2,1H3,(H,13,14)
InChIKey
YMRYELDXMWHXIK-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-yl)-2-methoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.04596 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.05324 149.6
[M+Na]+ 260.03518 161.0
[M+NH4]+ 255.07978 157.5
[M+K]+ 276.00912 155.7
[M-H]- 236.03868 150.1
[M+Na-2H]- 258.02063 154.1
[M]+ 237.04541 151.7
[M]- 237.04651 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.