CID 20118829

5-methyl-2-(thiophen-2-yl)-1,3-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C9H7NO3S
SMILES
CC1=C(N=C(O1)C2=CC=CS2)C(=O)O
InChI
InChI=1S/C9H7NO3S/c1-5-7(9(11)12)10-8(13-5)6-3-2-4-14-6/h2-4H,1H3,(H,11,12)
InChIKey
OEGSXMHEARRXEI-UHFFFAOYSA-N
Compound name
5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.01466 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.02194 141.4
[M+Na]+ 232.00388 153.0
[M-H]- 208.00738 148.3
[M+NH4]+ 227.04848 161.6
[M+K]+ 247.97782 151.5
[M+H-H2O]+ 192.01192 136.4
[M+HCOO]- 254.01286 161.7
[M+CH3COO]- 268.02851 179.3
[M+Na-2H]- 229.98933 142.6
[M]+ 209.01411 147.3
[M]- 209.01521 147.3
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.