CID 155821845

2445791-89-7

Structural Information

Molecular Formula
C16H20ClNO4S
SMILES
C1CCC2(C1)CC(CN2C(=O)OCC3=CC=CC=C3)S(=O)(=O)Cl
InChI
InChI=1S/C16H20ClNO4S/c17-23(20,21)14-10-16(8-4-5-9-16)18(11-14)15(19)22-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2
InChIKey
DUMSFEVJSGTFQA-UHFFFAOYSA-N
Compound name
benzyl 3-chlorosulfonyl-1-azaspiro[4.4]nonane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.08017 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08745 184.8
[M+Na]+ 380.06939 191.9
[M-H]- 356.07289 192.4
[M+NH4]+ 375.11399 203.3
[M+K]+ 396.04333 187.8
[M+H-H2O]+ 340.07743 179.7
[M+HCOO]- 402.07837 194.0
[M+CH3COO]- 416.09402 202.0
[M+Na-2H]- 378.05484 183.5
[M]+ 357.07962 187.2
[M]- 357.08072 187.2
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.