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 150.9
[M+Na]+ 262.01444 161.8
[M-H]- 238.01794 153.4
[M+NH4]+ 257.05904 171.6
[M+K]+ 277.98838 158.9
[M+H-H2O]+ 222.02248 146.9
[M+HCOO]- 284.02342 167.7
[M+CH3COO]- 298.03907 184.3
[M+Na-2H]- 259.99989 149.9
[M]+ 239.02467 156.6
[M]- 239.02577 156.6
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

No patent data available for this compound.