CID 145874692

2375273-83-7

Structural Information

Molecular Formula
C15H18ClNO4S
SMILES
C1CC2(C1)CC(CN2C(=O)OCC3=CC=CC=C3)S(=O)(=O)Cl
InChI
InChI=1S/C15H18ClNO4S/c16-22(19,20)13-9-15(7-4-8-15)17(10-13)14(18)21-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKey
YZQQNGJPKRIXSH-UHFFFAOYSA-N
Compound name
benzyl 7-chlorosulfonyl-5-azaspiro[3.4]octane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0645 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.071776 168.1
[M+Na]+ 366.053718 173.6
[M-H]- 342.057224 174.9
[M+NH4]+ 361.098323 178.8
[M+K]+ 382.027658 172.5
[M+H-H2O]+ 326.061760 157.4
[M+HCOO]- 388.062701 176.5
[M+CH3COO]- 402.078351 203.3
[M+Na-2H]- 364.039166 169.4
[M]+ 343.06395142 179.8
[M]- 343.06504858 179.8
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.