CID 20542805

79472-22-3

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

118
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 126.4
[M+Na]+ 161.99841 136.6
[M+NH4]+ 157.04301 136.1
[M+K]+ 177.97235 132.5
[M-H]- 138.00191 127.2
[M+Na-2H]- 159.98386 129.9
[M]+ 139.00864 128.3
[M]- 139.00974 128.3
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