CID 138006708

2-(methoxycarbonyl)-4h-thieno[3,2-b]pyrrole-5-carboxylic acid

Structural Information

Molecular Formula
C9H7NO4S
SMILES
COC(=O)C1=CC2=C(S1)C=C(N2)C(=O)O
InChI
InChI=1S/C9H7NO4S/c1-14-9(13)7-2-4-6(15-7)3-5(10-4)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKey
VCUIXNOGJCKNMW-UHFFFAOYSA-N
Compound name
2-methoxycarbonyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.00958 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.01686 147.6
[M+Na]+ 247.99880 156.6
[M+NH4]+ 243.04340 154.1
[M+K]+ 263.97274 155.0
[M-H]- 224.00230 146.0
[M+Na-2H]- 245.98425 149.1
[M]+ 225.00903 148.4
[M]- 225.01013 148.4
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

No patent data available for this compound.