CID 145867260

2361825-60-5

Structural Information

Molecular Formula
C7H13NO2S
SMILES
C1C(CC2C1CS(=O)(=O)C2)N
InChI
InChI=1S/C7H13NO2S/c8-7-1-5-3-11(9,10)4-6(5)2-7/h5-7H,1-4,8H2
InChIKey
IHUOMIZPHVIXCO-UHFFFAOYSA-N
Compound name
2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0667 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07398 136.4
[M+Na]+ 198.05592 143.6
[M+NH4]+ 193.10052 146.7
[M+K]+ 214.02986 138.7
[M-H]- 174.05942 137.2
[M+Na-2H]- 196.04137 139.1
[M]+ 175.06615 137.8
[M]- 175.06725 137.8
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

No patent data available for this compound.