CID 175297
Einecs 277-057-5
Structural Information
- Molecular Formula
- C14H22O
- SMILES
- CC1=CCC(CC1CC=C(C)C)C(=O)C
- InChI
- InChI=1S/C14H22O/c1-10(2)5-7-13-9-14(12(4)15)8-6-11(13)3/h5-6,13-14H,7-9H2,1-4H3
- InChIKey
- AAKUUHILWZWNCL-UHFFFAOYSA-N
- Compound name
- 1-[4-methyl-5-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 207.17435 | 149.4 |
[M+Na]+ | 229.15629 | 154.7 |
[M-H]- | 205.15979 | 152.4 |
[M+NH4]+ | 224.20089 | 168.8 |
[M+K]+ | 245.13023 | 152.4 |
[M+H-H2O]+ | 189.16433 | 143.9 |
[M+HCOO]- | 251.16527 | 168.1 |
[M+CH3COO]- | 265.18092 | 190.8 |
[M+Na-2H]- | 227.14174 | 149.3 |
[M]+ | 206.16652 | 147.8 |
[M]- | 206.16762 | 147.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.