CID 17980566
492444-11-8
Structural Information
- Molecular Formula
- C12H14BrNO4
- SMILES
- CC(C)(C)OC(=O)NC1=C2C(=CC(=C1)Br)OCO2
- InChI
- InChI=1S/C12H14BrNO4/c1-12(2,3)18-11(15)14-8-4-7(13)5-9-10(8)17-6-16-9/h4-5H,6H2,1-3H3,(H,14,15)
- InChIKey
- IGPAIGIOTXREKI-UHFFFAOYSA-N
- Compound name
- tert-butyl N-(6-bromo-1,3-benzodioxol-4-yl)carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 316.01790 | 167.1 |
[M+Na]+ | 337.99984 | 177.6 |
[M-H]- | 314.00334 | 175.4 |
[M+NH4]+ | 333.04444 | 185.6 |
[M+K]+ | 353.97378 | 169.9 |
[M+H-H2O]+ | 298.00788 | 167.3 |
[M+HCOO]- | 360.00882 | 184.9 |
[M+CH3COO]- | 374.02447 | 201.5 |
[M+Na-2H]- | 335.98529 | 174.3 |
[M]+ | 315.01007 | 189.2 |
[M]- | 315.01117 | 189.2 |
Literature stripe
No literature data available for this compound.