CID 137949452

2172152-64-4

Structural Information

Molecular Formula
C15H18ClNO4S
SMILES
C1CC2C(CC1N2C(=O)OCC3=CC=CC=C3)CS(=O)(=O)Cl
InChI
InChI=1S/C15H18ClNO4S/c16-22(19,20)10-12-8-13-6-7-14(12)17(13)15(18)21-9-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2
InChIKey
QXPBYDBAKOWMGZ-UHFFFAOYSA-N
Compound name
benzyl 2-(chlorosulfonylmethyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0645 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.071776 181.4
[M+Na]+ 366.053718 189.5
[M-H]- 342.057224 186.5
[M+NH4]+ 361.098323 200.2
[M+K]+ 382.027658 185.4
[M+H-H2O]+ 326.061760 177.1
[M+HCOO]- 388.062701 190.4
[M+CH3COO]- 402.078351 202.9
[M+Na-2H]- 364.039166 180.6
[M]+ 343.06395142 187.4
[M]- 343.06504858 187.4
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.