CID 84766447
2-(3,4-dihydro-1h-2-benzopyran-5-yl)acetonitrile
Structural Information
- Molecular Formula
- C11H11NO
- SMILES
- C1COCC2=C1C(=CC=C2)CC#N
- InChI
- InChI=1S/C11H11NO/c12-6-4-9-2-1-3-10-8-13-7-5-11(9)10/h1-3H,4-5,7-8H2
- InChIKey
- NNMOVJQPQJUKPP-UHFFFAOYSA-N
- Compound name
- 2-(3,4-dihydro-1H-isochromen-5-yl)acetonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 174.09134 | 135.1 |
[M+Na]+ | 196.07328 | 145.0 |
[M-H]- | 172.07678 | 139.2 |
[M+NH4]+ | 191.11788 | 153.2 |
[M+K]+ | 212.04722 | 141.0 |
[M+H-H2O]+ | 156.08132 | 122.9 |
[M+HCOO]- | 218.08226 | 152.3 |
[M+CH3COO]- | 232.09791 | 147.2 |
[M+Na-2H]- | 194.05873 | 143.2 |
[M]+ | 173.08351 | 129.2 |
[M]- | 173.08461 | 129.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.