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]+ 252.08196 153.2
[M+Na]+ 274.06390 158.5
[M-H]- 250.06740 156.2
[M+NH4]+ 269.10850 172.1
[M+K]+ 290.03784 154.9
[M+H-H2O]+ 234.07194 147.9
[M+HCOO]- 296.07288 158.6
[M+CH3COO]- 310.08853 185.1
[M+Na-2H]- 272.04935 156.8
[M]+ 251.07413 149.2
[M]- 251.07523 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