CID 138991528

2309460-62-4

Structural Information

Molecular Formula
C8H15NO3S
SMILES
C1CNCCOC12CCS(=O)(=O)C2
InChI
InChI=1S/C8H15NO3S/c10-13(11)6-2-8(7-13)1-3-9-4-5-12-8/h9H,1-7H2
InChIKey
PCONANSKWCKVEN-UHFFFAOYSA-N
Compound name
6-oxa-2lambda6-thia-9-azaspiro[4.6]undecane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.07727 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08455 141.2
[M+Na]+ 228.06649 145.5
[M-H]- 204.06999 145.0
[M+NH4]+ 223.11109 161.0
[M+K]+ 244.04043 147.1
[M+H-H2O]+ 188.07453 135.7
[M+HCOO]- 250.07547 152.6
[M+CH3COO]- 264.09112 152.1
[M+Na-2H]- 226.05194 144.6
[M]+ 205.07672 134.4
[M]- 205.07782 134.4
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.