CID 177801892

9-oxa-1lambda6-thia-4-azaspiro[5.5]undecane-1,1-dione hydrochloride

Structural Information

Molecular Formula
C8H15NO3S
SMILES
C1COCCC12CNCCS2(=O)=O
InChI
InChI=1S/C8H15NO3S/c10-13(11)6-3-9-7-8(13)1-4-12-5-2-8/h9H,1-7H2
InChIKey
GZHXMNOCGSYGIC-UHFFFAOYSA-N
Compound name
9-oxa-1lambda6-thia-4-azaspiro[5.5]undecane 1,1-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]+ 206.084546 140.6
[M+Na]+ 228.066488 146.3
[M-H]- 204.069994 143.2
[M+NH4]+ 223.111093 160.4
[M+K]+ 244.040428 145.3
[M+H-H2O]+ 188.074530 135.2
[M+HCOO]- 250.075471 150.6
[M+CH3COO]- 264.091121 174.4
[M+Na-2H]- 226.051936 146.7
[M]+ 205.07672142 135.2
[M]- 205.07781858 135.2
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.