CID 139022688

2344679-42-9

Structural Information

Molecular Formula
C10H9NO4S
SMILES
CC1=C(C2=C(S1)C=C(N2)C(=O)O)C(=O)OC
InChI
InChI=1S/C10H9NO4S/c1-4-7(10(14)15-2)8-6(16-4)3-5(11-8)9(12)13/h3,11H,1-2H3,(H,12,13)
InChIKey
MRCPEPZIBYILOQ-UHFFFAOYSA-N
Compound name
3-methoxycarbonyl-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.02522 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03250 152.2
[M+Na]+ 262.01444 161.3
[M+NH4]+ 257.05904 158.6
[M+K]+ 277.98838 159.7
[M-H]- 238.01794 150.6
[M+Na-2H]- 259.99989 153.2
[M]+ 239.02467 153.1
[M]- 239.02577 153.1
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.