CID 12646620

Methyl 4-methoxythiophene-2-carboxylate

Structural Information

Molecular Formula
C7H8O3S
SMILES
COC1=CSC(=C1)C(=O)OC
InChI
InChI=1S/C7H8O3S/c1-9-5-3-6(11-4-5)7(8)10-2/h3-4H,1-2H3
InChIKey
HCXYSDHMZUIGIF-UHFFFAOYSA-N
Compound name
methyl 4-methoxythiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

172.01941 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.02669 133.8
[M+Na]+ 195.00863 143.2
[M-H]- 171.01213 138.4
[M+NH4]+ 190.05323 156.8
[M+K]+ 210.98257 142.5
[M+H-H2O]+ 155.01667 128.9
[M+HCOO]- 217.01761 154.4
[M+CH3COO]- 231.03326 175.7
[M+Na-2H]- 192.99408 135.6
[M]+ 172.01886 139.4
[M]- 172.01996 139.4
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