CID 215200

Benzoic acid, 2-methoxy-5-(2-thiazolyl)-

Structural Information

Molecular Formula
C11H9NO3S
SMILES
COC1=C(C=C(C=C1)C2=NC=CS2)C(=O)O
InChI
InChI=1S/C11H9NO3S/c1-15-9-3-2-7(6-8(9)11(13)14)10-12-4-5-16-10/h2-6H,1H3,(H,13,14)
InChIKey
OPMJDVBBTICBGD-UHFFFAOYSA-N
Compound name
2-methoxy-5-(1,3-thiazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

235.03032 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.037596 148.9
[M+Na]+ 258.019538 158.4
[M-H]- 234.023044 154.2
[M+NH4]+ 253.064143 167.2
[M+K]+ 273.993478 155.1
[M+H-H2O]+ 218.027580 142.5
[M+HCOO]- 280.028521 167.2
[M+CH3COO]- 294.044171 185.1
[M+Na-2H]- 256.004986 150.1
[M]+ 235.02977142 152.6
[M]- 235.03086858 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe