CID 57835
100393-39-3
Structural Information
- Molecular Formula
- C13H13NO2
- SMILES
- CN1C(=O)C2CCC3=CC=CC=C3C2C1=O
- InChI
- InChI=1S/C13H13NO2/c1-14-12(15)10-7-6-8-4-2-3-5-9(8)11(10)13(14)16/h2-5,10-11H,6-7H2,1H3
- InChIKey
- HRUISRITVIGERK-UHFFFAOYSA-N
- Compound name
- 2-methyl-3a,4,5,9b-tetrahydrobenzo[e]isoindole-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 216.10192 | 145.8 |
[M+Na]+ | 238.08386 | 155.3 |
[M-H]- | 214.08736 | 150.0 |
[M+NH4]+ | 233.12846 | 167.4 |
[M+K]+ | 254.05780 | 151.2 |
[M+H-H2O]+ | 198.09190 | 139.7 |
[M+HCOO]- | 260.09284 | 164.6 |
[M+CH3COO]- | 274.10849 | 158.9 |
[M+Na-2H]- | 236.06931 | 149.6 |
[M]+ | 215.09409 | 144.6 |
[M]- | 215.09519 | 144.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.