CID 4198739
2,4-dimethylphenylboronic acid
Structural Information
- Molecular Formula
- C8H11BO2
- SMILES
- B(C1=C(C=C(C=C1)C)C)(O)O
- InChI
- InChI=1S/C8H11BO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5,10-11H,1-2H3
- InChIKey
- TYONHSPZXLFWKI-UHFFFAOYSA-N
- Compound name
- (2,4-dimethylphenyl)boronic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 151.09248 | 129.6 |
[M+Na]+ | 173.07442 | 142.1 |
[M+NH4]+ | 168.11902 | 138.0 |
[M+K]+ | 189.04836 | 136.9 |
[M-H]- | 149.07792 | 130.9 |
[M+Na-2H]- | 171.05987 | 135.6 |
[M]+ | 150.08465 | 131.7 |
[M]- | 150.08575 | 131.7 |