CID 62708709

2377036-35-4

Structural Information

Molecular Formula
C8H15NO2S
SMILES
C1CS(=O)(=O)CCC12CC2CN
InChI
InChI=1S/C8H15NO2S/c9-6-7-5-8(7)1-3-12(10,11)4-2-8/h7H,1-6,9H2
InChIKey
PEWYBZKIPNBYLD-UHFFFAOYSA-N
Compound name
(6,6-dioxo-6lambda6-thiaspiro[2.5]octan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.08235 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08963 136.3
[M+Na]+ 212.07157 145.1
[M-H]- 188.07507 142.2
[M+NH4]+ 207.11617 155.0
[M+K]+ 228.04551 143.3
[M+H-H2O]+ 172.07961 132.4
[M+HCOO]- 234.08055 152.1
[M+CH3COO]- 248.09620 182.6
[M+Na-2H]- 210.05702 141.5
[M]+ 189.08180 137.0
[M]- 189.08290 137.0
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.