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]+ 344.07178 168.1
[M+Na]+ 366.05372 173.6
[M-H]- 342.05722 174.9
[M+NH4]+ 361.09832 178.8
[M+K]+ 382.02766 172.5
[M+H-H2O]+ 326.06176 157.4
[M+HCOO]- 388.06270 176.5
[M+CH3COO]- 402.07835 203.3
[M+Na-2H]- 364.03917 169.4
[M]+ 343.06395 179.8
[M]- 343.06505 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.