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]+ 206.084546 139.6
[M+Na]+ 228.066488 146.9
[M-H]- 204.069994 145.1
[M+NH4]+ 223.111093 163.1
[M+K]+ 244.040428 145.9
[M+H-H2O]+ 188.074530 135.9
[M+HCOO]- 250.075471 154.8
[M+CH3COO]- 264.091121 179.2
[M+Na-2H]- 226.051936 144.0
[M]+ 205.07672142 136.5
[M]- 205.07781858 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.