CID 602781
2,3-dihydro-1h-phenalen-1-one
Structural Information
- Molecular Formula
- C13H10O
- SMILES
- C1CC(=O)C2=CC=CC3=C2C1=CC=C3
- InChI
- InChI=1S/C13H10O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-6H,7-8H2
- InChIKey
- NUCARPFILXBGFK-UHFFFAOYSA-N
- Compound name
- 2,3-dihydrophenalen-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.08045 | 135.4 |
[M+Na]+ | 205.06239 | 143.9 |
[M-H]- | 181.06589 | 140.2 |
[M+NH4]+ | 200.10699 | 157.8 |
[M+K]+ | 221.03633 | 139.9 |
[M+H-H2O]+ | 165.07043 | 129.2 |
[M+HCOO]- | 227.07137 | 156.0 |
[M+CH3COO]- | 241.08702 | 149.1 |
[M+Na-2H]- | 203.04784 | 144.9 |
[M]+ | 182.07262 | 134.6 |
[M]- | 182.07372 | 134.6 |