CID 129320029
Benzyl 3,3-difluoropiperidin-4-ylcarbamate
Structural Information
- Molecular Formula
- C13H16F2N2O2
- SMILES
- C1CNCC(C1NC(=O)OCC2=CC=CC=C2)(F)F
- InChI
- InChI=1S/C13H16F2N2O2/c14-13(15)9-16-7-6-11(13)17-12(18)19-8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,17,18)
- InChIKey
- RRICLCGYDVONBZ-UHFFFAOYSA-N
- Compound name
- benzyl N-(3,3-difluoropiperidin-4-yl)carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 271.12526 | 159.9 |
[M+Na]+ | 293.10720 | 164.6 |
[M-H]- | 269.11070 | 160.3 |
[M+NH4]+ | 288.15180 | 175.2 |
[M+K]+ | 309.08114 | 160.8 |
[M+H-H2O]+ | 253.11524 | 150.3 |
[M+HCOO]- | 315.11618 | 176.0 |
[M+CH3COO]- | 329.13183 | 193.9 |
[M+Na-2H]- | 291.09265 | 163.4 |
[M]+ | 270.11743 | 152.1 |
[M]- | 270.11853 | 152.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.