CID 62389724

2251054-00-7

Structural Information

Molecular Formula
C7H13NO2S
SMILES
C1CS(=O)(=O)CCC12CC2N
InChI
InChI=1S/C7H13NO2S/c8-6-5-7(6)1-3-11(9,10)4-2-7/h6H,1-5,8H2
InChIKey
UIDONUXHTFQLIQ-UHFFFAOYSA-N
Compound name
6,6-dioxo-6lambda6-thiaspiro[2.5]octan-2-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 132.4
[M+Na]+ 198.05592 141.7
[M-H]- 174.05942 138.5
[M+NH4]+ 193.10052 151.7
[M+K]+ 214.02986 140.1
[M+H-H2O]+ 158.06396 128.7
[M+HCOO]- 220.06490 148.5
[M+CH3COO]- 234.08055 179.7
[M+Na-2H]- 196.04137 138.1
[M]+ 175.06615 132.8
[M]- 175.06725 132.8
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.