CID 701637

Methyl 3-methoxythiophene-2-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

172.01941 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.026686 133.8
[M+Na]+ 195.008628 143.2
[M-H]- 171.012134 138.4
[M+NH4]+ 190.053233 156.8
[M+K]+ 210.982568 142.5
[M+H-H2O]+ 155.016670 128.9
[M+HCOO]- 217.017611 154.4
[M+CH3COO]- 231.033261 175.7
[M+Na-2H]- 192.994076 135.6
[M]+ 172.01886142 139.4
[M]- 172.01995858 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