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]+ 176.073976 132.4
[M+Na]+ 198.055918 141.7
[M-H]- 174.059424 138.5
[M+NH4]+ 193.100523 151.7
[M+K]+ 214.029858 140.1
[M+H-H2O]+ 158.063960 128.7
[M+HCOO]- 220.064901 148.5
[M+CH3COO]- 234.080551 179.7
[M+Na-2H]- 196.041366 138.1
[M]+ 175.06615142 132.8
[M]- 175.06724858 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.