CID 16217904
870778-94-2
Structural Information
- Molecular Formula
- C11H17BO3
- SMILES
- B(C1=C(C=CC(=C1)C)OCC(C)C)(O)O
- InChI
- InChI=1S/C11H17BO3/c1-8(2)7-15-11-5-4-9(3)6-10(11)12(13)14/h4-6,8,13-14H,7H2,1-3H3
- InChIKey
- DJGCEUCMCLMRKN-UHFFFAOYSA-N
- Compound name
- [5-methyl-2-(2-methylpropoxy)phenyl]boronic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 209.13436 | 146.0 |
[M+Na]+ | 231.11630 | 152.6 |
[M-H]- | 207.11980 | 147.1 |
[M+NH4]+ | 226.16090 | 163.9 |
[M+K]+ | 247.09024 | 150.9 |
[M+H-H2O]+ | 191.12434 | 140.6 |
[M+HCOO]- | 253.12528 | 165.3 |
[M+CH3COO]- | 267.14093 | 184.7 |
[M+Na-2H]- | 229.10175 | 147.9 |
[M]+ | 208.12653 | 147.1 |
[M]- | 208.12763 | 147.1 |
Literature stripe
No literature data available for this compound.