CID 3690598
3-(2-cyanoethylaminocarbonyl)benzeneboronic acid
Structural Information
- Molecular Formula
- C10H11BN2O3
- SMILES
- B(C1=CC(=CC=C1)C(=O)NCCC#N)(O)O
- InChI
- InChI=1S/C10H11BN2O3/c12-5-2-6-13-10(14)8-3-1-4-9(7-8)11(15)16/h1,3-4,7,15-16H,2,6H2,(H,13,14)
- InChIKey
- RIXOLHWXBQWQFL-UHFFFAOYSA-N
- Compound name
- [3-(2-cyanoethylcarbamoyl)phenyl]boronic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 219.09355 | 150.9 |
[M+Na]+ | 241.07549 | 158.3 |
[M-H]- | 217.07899 | 151.4 |
[M+NH4]+ | 236.12009 | 165.7 |
[M+K]+ | 257.04943 | 155.6 |
[M+H-H2O]+ | 201.08353 | 138.3 |
[M+HCOO]- | 263.08447 | 168.2 |
[M+CH3COO]- | 277.10012 | 197.2 |
[M+Na-2H]- | 239.06094 | 153.6 |
[M]+ | 218.08572 | 144.4 |
[M]- | 218.08682 | 144.4 |
Literature stripe
No literature data available for this compound.