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]+ 176.073976 135.1
[M+Na]+ 198.055918 144.2
[M-H]- 174.059424 139.5
[M+NH4]+ 193.100523 162.1
[M+K]+ 214.029858 141.9
[M+H-H2O]+ 158.063960 132.0
[M+HCOO]- 220.064901 153.2
[M+CH3COO]- 234.080551 176.5
[M+Na-2H]- 196.041366 136.5
[M]+ 175.06615142 133.9
[M]- 175.06724858 133.9
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.