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]+ 192.068886 130.1
[M+Na]+ 214.050828 135.3
[M-H]- 190.054334 135.5
[M+NH4]+ 209.095433 145.6
[M+K]+ 230.024768 138.0
[M+H-H2O]+ 174.058870 120.8
[M+HCOO]- 236.059811 144.2
[M+CH3COO]- 250.075461 181.5
[M+Na-2H]- 212.036276 136.2
[M]+ 191.06106142 136.6
[M]- 191.06215858 136.6
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.