CID 56842375
2-buten-1-one, 1-(2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl)-, (1s-(1alpha(e),5beta))-
Structural Information
- Molecular Formula
- C14H22O
- SMILES
- C/C=C/C(=O)[C@H]1C[C@@H](CC=C1C)C(C)C
- InChI
- InChI=1S/C14H22O/c1-5-6-14(15)13-9-12(10(2)3)8-7-11(13)4/h5-7,10,12-13H,8-9H2,1-4H3/b6-5+/t12-,13+/m1/s1
- InChIKey
- NDIIRIBTDFAWIS-PBJSTTKNSA-N
- Compound name
- (E)-1-[(1S,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]but-2-en-1-one
- 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.