CID 55279938

1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl chloride

Structural Information

Molecular Formula
C7H12ClNO4S
SMILES
C1CN(CCC12OCCO2)S(=O)(=O)Cl
InChI
InChI=1S/C7H12ClNO4S/c8-14(10,11)9-3-1-7(2-4-9)12-5-6-13-7/h1-6H2
InChIKey
BGZUFEVTVCKYMP-UHFFFAOYSA-N
Compound name
1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

241.01756 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02484 145.8
[M+Na]+ 264.00678 153.5
[M-H]- 240.01028 151.2
[M+NH4]+ 259.05138 164.5
[M+K]+ 279.98072 153.6
[M+H-H2O]+ 224.01482 142.1
[M+HCOO]- 286.01576 153.3
[M+CH3COO]- 300.03141 180.2
[M+Na-2H]- 261.99223 151.4
[M]+ 241.01701 146.9
[M]- 241.01811 146.9
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