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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 344.07178 | 181.4 |
[M+Na]+ | 366.05372 | 189.5 |
[M-H]- | 342.05722 | 186.5 |
[M+NH4]+ | 361.09832 | 200.2 |
[M+K]+ | 382.02766 | 185.4 |
[M+H-H2O]+ | 326.06176 | 177.1 |
[M+HCOO]- | 388.06270 | 190.4 |
[M+CH3COO]- | 402.07835 | 202.9 |
[M+Na-2H]- | 364.03917 | 180.6 |
[M]+ | 343.06395 | 187.4 |
[M]- | 343.06505 | 187.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.