CID 2758716
33301-41-6
Structural Information
- Molecular Formula
- C17H19NO3S
- SMILES
- CS(=O)(=O)OC1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
- InChI
- InChI=1S/C17H19NO3S/c1-22(19,20)21-16-12-18(13-16)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
- InChIKey
- MSVZMUILYMLJCF-UHFFFAOYSA-N
- Compound name
- (1-benzhydrylazetidin-3-yl) methanesulfonate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 318.11583 | 164.6 |
[M+Na]+ | 340.09777 | 172.9 |
[M+NH4]+ | 335.14237 | 168.2 |
[M+K]+ | 356.07171 | 167.2 |
[M-H]- | 316.10127 | 165.9 |
[M+Na-2H]- | 338.08322 | 171.1 |
[M]+ | 317.10800 | 165.5 |
[M]- | 317.10910 | 165.5 |