CID 77286077
3-(4-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}-2-methylpropanoic acid
Structural Information
- Molecular Formula
- C15H20BrNO4
- SMILES
- CC(C)(C)OC(=O)NC(C)(CC1=CC=C(C=C1)Br)C(=O)O
- InChI
- InChI=1S/C15H20BrNO4/c1-14(2,3)21-13(20)17-15(4,12(18)19)9-10-5-7-11(16)8-6-10/h5-8H,9H2,1-4H3,(H,17,20)(H,18,19)
- InChIKey
- SWYWAMZOHWXACO-UHFFFAOYSA-N
- Compound name
- 3-(4-bromophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 358.06484 | 175.8 |
[M+Na]+ | 380.04678 | 183.7 |
[M-H]- | 356.05028 | 180.2 |
[M+NH4]+ | 375.09138 | 191.4 |
[M+K]+ | 396.02072 | 173.0 |
[M+H-H2O]+ | 340.05482 | 174.8 |
[M+HCOO]- | 402.05576 | 191.4 |
[M+CH3COO]- | 416.07141 | 208.6 |
[M+Na-2H]- | 378.03223 | 180.1 |
[M]+ | 357.05701 | 195.5 |
[M]- | 357.05811 | 195.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.