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

11
Patents

194.99901 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.00629 138.7
[M+Na]+ 217.98823 150.4
[M-H]- 193.99173 141.1
[M+NH4]+ 213.03283 161.1
[M+K]+ 233.96217 146.8
[M+H-H2O]+ 177.99627 134.7
[M+HCOO]- 239.99721 157.1
[M+CH3COO]- 254.01286 174.8
[M+Na-2H]- 215.97368 140.2
[M]+ 194.99846 142.6
[M]- 194.99956 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