CID 12257201

2-formyl-6h-thieno[2,3-b]pyrrole-5-carboxylic acid

Structural Information

Molecular Formula
C8H5NO3S
SMILES
C1=C(SC2=C1C=C(N2)C(=O)O)C=O
InChI
InChI=1S/C8H5NO3S/c10-3-5-1-4-2-6(8(11)12)9-7(4)13-5/h1-3,9H,(H,11,12)
InChIKey
NLRMHPOROOBMCP-UHFFFAOYSA-N
Compound name
2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

194.99901 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.006286 138.7
[M+Na]+ 217.988228 150.4
[M-H]- 193.991734 141.1
[M+NH4]+ 213.032833 161.1
[M+K]+ 233.962168 146.8
[M+H-H2O]+ 177.996270 134.7
[M+HCOO]- 239.997211 157.1
[M+CH3COO]- 254.012861 174.8
[M+Na-2H]- 215.973676 140.2
[M]+ 194.99846142 142.6
[M]- 194.99955858 142.6
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

patents stripe