CID 137965772

2230798-92-0

Structural Information

Molecular Formula
C7H13NO3S
SMILES
C1COCCC12C(CS2(=O)=O)N
InChI
InChI=1S/C7H13NO3S/c8-6-5-12(9,10)7(6)1-3-11-4-2-7/h6H,1-5,8H2
InChIKey
OQVGNRVZKOMBPA-UHFFFAOYSA-N
Compound name
1,1-dioxo-7-oxa-1lambda6-thiaspiro[3.5]nonan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06161 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06889 135.5
[M+Na]+ 214.05083 139.8
[M+NH4]+ 209.09543 142.4
[M+K]+ 230.02477 132.7
[M-H]- 190.05433 135.8
[M+Na-2H]- 212.03628 139.5
[M]+ 191.06106 135.5
[M]- 191.06216 135.5
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.