CID 64105595

1444025-85-7

Structural Information

Molecular Formula
C8H15NO3S
SMILES
C1COC2(CCS(=O)(=O)C2)CC1N
InChI
InChI=1S/C8H15NO3S/c9-7-1-3-12-8(5-7)2-4-13(10,11)6-8/h7H,1-6,9H2
InChIKey
MMTJOUXZLPXXSE-UHFFFAOYSA-N
Compound name
2,2-dioxo-6-oxa-2lambda6-thiaspiro[4.5]decan-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.07727 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08455 139.6
[M+Na]+ 228.06649 146.9
[M-H]- 204.06999 145.1
[M+NH4]+ 223.11109 163.1
[M+K]+ 244.04043 145.9
[M+H-H2O]+ 188.07453 135.9
[M+HCOO]- 250.07547 154.8
[M+CH3COO]- 264.09112 179.2
[M+Na-2H]- 226.05194 144.0
[M]+ 205.07672 136.5
[M]- 205.07782 136.5
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.