CID 135435076

(z)-3-(1,3-benzothiazol-2-yl)-2-hydroxy-prop-2-enoic acid

Structural Information

Molecular Formula
C10H7NO3S
SMILES
C1=CC=C2C(=C1)N=C(S2)/C=C(/C(=O)O)\O
InChI
InChI=1S/C10H7NO3S/c12-7(10(13)14)5-9-11-6-3-1-2-4-8(6)15-9/h1-5,12H,(H,13,14)/b7-5-
InChIKey
MJVDKAAUDHMNPY-ALCCZGGFSA-N
Compound name
(Z)-3-(1,3-benzothiazol-2-yl)-2-hydroxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

221.01466 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.02194 144.9
[M+Na]+ 244.00388 154.5
[M-H]- 220.00738 146.4
[M+NH4]+ 239.04848 164.1
[M+K]+ 259.97782 150.4
[M+H-H2O]+ 204.01192 139.7
[M+HCOO]- 266.01286 160.9
[M+CH3COO]- 280.02851 179.4
[M+Na-2H]- 241.98933 147.5
[M]+ 221.01411 147.5
[M]- 221.01521 147.5
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.