CID 266815
2-methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one
Structural Information
- Molecular Formula
- C12H14O2
- SMILES
- COC1=CC2=C(C=C1)C(=O)CCCC2
- InChI
- InChI=1S/C12H14O2/c1-14-10-6-7-11-9(8-10)4-2-3-5-12(11)13/h6-8H,2-5H2,1H3
- InChIKey
- WLRMIOGKWITDNU-UHFFFAOYSA-N
- Compound name
- 2-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 191.10666 | 135.7 |
[M+Na]+ | 213.08860 | 141.6 |
[M-H]- | 189.09210 | 141.2 |
[M+NH4]+ | 208.13320 | 155.3 |
[M+K]+ | 229.06254 | 143.5 |
[M+H-H2O]+ | 173.09664 | 131.6 |
[M+HCOO]- | 235.09758 | 156.3 |
[M+CH3COO]- | 249.11323 | 185.6 |
[M+Na-2H]- | 211.07405 | 142.0 |
[M]+ | 190.09883 | 132.5 |
[M]- | 190.09993 | 132.5 |
Literature stripe
No literature data available for this compound.