CID 57946295

3-azaspiro[5.5]undecane-3-sulfonyl chloride

Structural Information

Molecular Formula
C10H18ClNO2S
SMILES
C1CCC2(CC1)CCN(CC2)S(=O)(=O)Cl
InChI
InChI=1S/C10H18ClNO2S/c11-15(13,14)12-8-6-10(7-9-12)4-2-1-3-5-10/h1-9H2
InChIKey
KCQLXZYZRXYJQG-UHFFFAOYSA-N
Compound name
3-azaspiro[5.5]undecane-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

251.07468 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.081956 153.2
[M+Na]+ 274.063898 158.5
[M-H]- 250.067404 156.2
[M+NH4]+ 269.108503 172.1
[M+K]+ 290.037838 154.9
[M+H-H2O]+ 234.071940 147.9
[M+HCOO]- 296.072881 158.6
[M+CH3COO]- 310.088531 185.1
[M+Na-2H]- 272.049346 156.8
[M]+ 251.07413142 149.2
[M]- 251.07522858 149.2
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

patents stripe