CID 19834206

130083-11-3

Structural Information

Molecular Formula
C7H8O3S
SMILES
CC1=C(C(=CS1)C(=O)OC)O
InChI
InChI=1S/C7H8O3S/c1-4-6(8)5(3-11-4)7(9)10-2/h3,8H,1-2H3
InChIKey
YKQQNJOTUACILC-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-5-methylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

172.01941 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.026686 133.4
[M+Na]+ 195.008628 143.1
[M-H]- 171.012134 136.9
[M+NH4]+ 190.053233 155.9
[M+K]+ 210.982568 141.4
[M+H-H2O]+ 155.016670 129.0
[M+HCOO]- 217.017611 152.3
[M+CH3COO]- 231.033261 174.2
[M+Na-2H]- 192.994076 134.1
[M]+ 172.01886142 137.4
[M]- 172.01995858 137.4
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