CID 15007354

135080-15-8

Structural Information

Molecular Formula
C7H6O4S
SMILES
COC(=O)C1=CSC(=C1)C(=O)O
InChI
InChI=1S/C7H6O4S/c1-11-7(10)4-2-5(6(8)9)12-3-4/h2-3H,1H3,(H,8,9)
InChIKey
UNUAGYLNEWRKAU-UHFFFAOYSA-N
Compound name
4-methoxycarbonylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

185.99867 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.005946 136.9
[M+Na]+ 208.987888 145.5
[M-H]- 184.991394 140.0
[M+NH4]+ 204.032493 158.2
[M+K]+ 224.961828 144.2
[M+H-H2O]+ 168.995930 132.1
[M+HCOO]- 230.996871 155.2
[M+CH3COO]- 245.012521 175.1
[M+Na-2H]- 206.973336 137.2
[M]+ 185.99812142 140.6
[M]- 185.99921858 140.6
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