CID 139022731

2344680-68-6

Structural Information

Molecular Formula
C16H20ClNO5S
SMILES
C1COCCC12CC(CN2C(=O)OCC3=CC=CC=C3)S(=O)(=O)Cl
InChI
InChI=1S/C16H20ClNO5S/c17-24(20,21)14-10-16(6-8-22-9-7-16)18(11-14)15(19)23-12-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKey
ZSLRVVWZLVDDQR-UHFFFAOYSA-N
Compound name
benzyl 3-chlorosulfonyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.07507 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.08235 182.8
[M+Na]+ 396.06429 188.7
[M-H]- 372.06779 190.2
[M+NH4]+ 391.10889 197.2
[M+K]+ 412.03823 186.2
[M+H-H2O]+ 356.07233 177.0
[M+HCOO]- 418.07327 189.1
[M+CH3COO]- 432.08892 204.7
[M+Na-2H]- 394.04974 184.4
[M]+ 373.07452 184.8
[M]- 373.07562 184.8
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.