CID 4980304

923751-15-9

Structural Information

Molecular Formula
C13H13NO3S
SMILES
CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C13H13NO3S/c1-2-17-11-6-4-3-5-10(11)13-14-9(8-18-13)7-12(15)16/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKey
SKAYIWHWABIVKT-UHFFFAOYSA-N
Compound name
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0616 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.068876 157.9
[M+Na]+ 286.050818 166.4
[M-H]- 262.054324 162.7
[M+NH4]+ 281.095423 175.0
[M+K]+ 302.024758 162.7
[M+H-H2O]+ 246.058860 151.0
[M+HCOO]- 308.059801 175.4
[M+CH3COO]- 322.075451 191.1
[M+Na-2H]- 284.036266 158.0
[M]+ 263.06105142 162.2
[M]- 263.06214858 162.2
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

No patent data available for this compound.