CID 6482357
Schembl31328339
Structural Information
- Molecular Formula
- C16H24O4
- SMILES
- CCCCCC(=O)C1=C(C(C(=O)C(C1=O)(C)C)(C)C)O
- InChI
- InChI=1S/C16H24O4/c1-6-7-8-9-10(17)11-12(18)15(2,3)14(20)16(4,5)13(11)19/h18H,6-9H2,1-5H3
- InChIKey
- FRROHQREBXTQOZ-UHFFFAOYSA-N
- Compound name
- 4-hexanoyl-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 281.17473 | 157.5 |
[M+Na]+ | 303.15667 | 166.4 |
[M-H]- | 279.16017 | 160.4 |
[M+NH4]+ | 298.20127 | 177.9 |
[M+K]+ | 319.13061 | 164.2 |
[M+H-H2O]+ | 263.16471 | 154.5 |
[M+HCOO]- | 325.16565 | 175.8 |
[M+CH3COO]- | 339.18130 | 202.4 |
[M+Na-2H]- | 301.14212 | 158.7 |
[M]+ | 280.16690 | 161.3 |
[M]- | 280.16800 | 161.3 |