CID 145912957
8-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,5-tetrahydro-4,1-benzoxazepine
Structural Information
- Molecular Formula
- C15H22BNO3
- SMILES
- B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(COCCN3)C=C2
- InChI
- InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-6-5-11-10-18-8-7-17-13(11)9-12/h5-6,9,17H,7-8,10H2,1-4H3
- InChIKey
- JDOXLOWOYTUPJD-UHFFFAOYSA-N
- Compound name
- 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,5-tetrahydro-4,1-benzoxazepine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 276.17656 | 159.5 |
[M+Na]+ | 298.15850 | 165.7 |
[M-H]- | 274.16200 | 167.0 |
[M+NH4]+ | 293.20310 | 175.3 |
[M+K]+ | 314.13244 | 167.7 |
[M+H-H2O]+ | 258.16654 | 153.3 |
[M+HCOO]- | 320.16748 | 172.5 |
[M+CH3COO]- | 334.18313 | 170.5 |
[M+Na-2H]- | 296.14395 | 164.3 |
[M]+ | 275.16873 | 156.5 |
[M]- | 275.16983 | 156.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.