CID 88257
Einecs 243-336-5
Structural Information
- Molecular Formula
- C17H26O3
- SMILES
- CCCCCCCCCCC(=O)C1=C(C=C(C=C1)O)O
- InChI
- InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-10-16(19)15-12-11-14(18)13-17(15)20/h11-13,18,20H,2-10H2,1H3
- InChIKey
- UEEDZQGMUJIULC-UHFFFAOYSA-N
- Compound name
- 1-(2,4-dihydroxyphenyl)undecan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 279.19548 | 169.4 |
[M+Na]+ | 301.17742 | 174.2 |
[M-H]- | 277.18092 | 169.4 |
[M+NH4]+ | 296.22202 | 184.3 |
[M+K]+ | 317.15136 | 170.1 |
[M+H-H2O]+ | 261.18546 | 162.8 |
[M+HCOO]- | 323.18640 | 188.1 |
[M+CH3COO]- | 337.20205 | 198.6 |
[M+Na-2H]- | 299.16287 | 169.6 |
[M]+ | 278.18765 | 172.2 |
[M]- | 278.18875 | 172.2 |