CID 20542805

4h,5h,6h-thieno[2,3-c]pyrrol-6-one

Structural Information

Molecular Formula
C6H5NOS
SMILES
C1C2=C(C(=O)N1)SC=C2
InChI
InChI=1S/C6H5NOS/c8-6-5-4(3-7-6)1-2-9-5/h1-2H,3H2,(H,7,8)
InChIKey
GIQBMQFTAUFJAW-UHFFFAOYSA-N
Compound name
4,5-dihydrothieno[2,3-c]pyrrol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

139.00919 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.016466 126.0
[M+Na]+ 161.998408 136.6
[M-H]- 138.001914 128.9
[M+NH4]+ 157.043013 151.2
[M+K]+ 177.972348 134.0
[M+H-H2O]+ 122.006450 121.8
[M+HCOO]- 184.007391 144.2
[M+CH3COO]- 198.023041 140.7
[M+Na-2H]- 159.983856 128.4
[M]+ 139.00864142 126.4
[M]- 139.00973858 126.4
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

patents stripe