CID 12646608

2-methoxythiophene-3-carboxylic acid

Structural Information

Molecular Formula
C6H6O3S
SMILES
COC1=C(C=CS1)C(=O)O
InChI
InChI=1S/C6H6O3S/c1-9-6-4(5(7)8)2-3-10-6/h2-3H,1H3,(H,7,8)
InChIKey
KNSMYEOGUCQNPB-UHFFFAOYSA-N
Compound name
2-methoxythiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

158.00377 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.011046 129.6
[M+Na]+ 180.992988 138.8
[M-H]- 156.996494 132.8
[M+NH4]+ 176.037593 152.3
[M+K]+ 196.966928 137.4
[M+H-H2O]+ 141.001030 125.0
[M+HCOO]- 203.001971 148.9
[M+CH3COO]- 217.017621 170.7
[M+Na-2H]- 178.978436 131.4
[M]+ 158.00322142 132.9
[M]- 158.00431858 132.9
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