CID 28287614

2-[2-(thiophen-2-yl)-1,3-oxazol-4-yl]acetic acid

Structural Information

Molecular Formula
C9H7NO3S
SMILES
C1=CSC(=C1)C2=NC(=CO2)CC(=O)O
InChI
InChI=1S/C9H7NO3S/c11-8(12)4-6-5-13-9(10-6)7-2-1-3-14-7/h1-3,5H,4H2,(H,11,12)
InChIKey
KYLXRJJKQSNTHJ-UHFFFAOYSA-N
Compound name
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.01466 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.02194 142.4
[M+Na]+ 232.00388 154.0
[M+NH4]+ 227.04848 150.2
[M+K]+ 247.97782 151.0
[M-H]- 208.00738 145.3
[M+Na-2H]- 229.98933 147.9
[M]+ 209.01411 145.2
[M]- 209.01521 145.2
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.