CID 20542805

4,5-dihydro-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

120
Patents

139.00919 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.01647 126.0
[M+Na]+ 161.99841 136.6
[M-H]- 138.00191 128.9
[M+NH4]+ 157.04301 151.2
[M+K]+ 177.97235 134.0
[M+H-H2O]+ 122.00645 121.8
[M+HCOO]- 184.00739 144.2
[M+CH3COO]- 198.02304 140.7
[M+Na-2H]- 159.98386 128.4
[M]+ 139.00864 126.4
[M]- 139.00974 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