CID 155896134

9-oxa-2-thia-6-azaspiro[4.5]decane

Structural Information

Molecular Formula
C7H13NOS
SMILES
C1CSCC12COCCN2
InChI
InChI=1S/C7H13NOS/c1-4-10-6-7(1)5-9-3-2-8-7/h8H,1-6H2
InChIKey
NWMSTZAJALSXRY-UHFFFAOYSA-N
Compound name
9-oxa-2-thia-6-azaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.0718 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07908 132.1
[M+Na]+ 182.06102 137.4
[M-H]- 158.06452 134.8
[M+NH4]+ 177.10562 153.8
[M+K]+ 198.03496 136.6
[M+H-H2O]+ 142.06906 126.8
[M+HCOO]- 204.07000 144.0
[M+CH3COO]- 218.08565 144.1
[M+Na-2H]- 180.04647 135.9
[M]+ 159.07125 126.2
[M]- 159.07235 126.2
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.