CID 3021981
5-ethoxy-2-hexylphenol
Structural Information
- Molecular Formula
- C14H22O2
- SMILES
- CCCCCCC1=C(C=C(C=C1)OCC)O
- InChI
- InChI=1S/C14H22O2/c1-3-5-6-7-8-12-9-10-13(16-4-2)11-14(12)15/h9-11,15H,3-8H2,1-2H3
- InChIKey
- HTCNWWOBQWBRBH-UHFFFAOYSA-N
- Compound name
- 5-ethoxy-2-hexylphenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 223.16927 | 153.0 |
[M+Na]+ | 245.15121 | 159.7 |
[M-H]- | 221.15471 | 155.0 |
[M+NH4]+ | 240.19581 | 171.3 |
[M+K]+ | 261.12515 | 156.8 |
[M+H-H2O]+ | 205.15925 | 146.9 |
[M+HCOO]- | 267.16019 | 174.9 |
[M+CH3COO]- | 281.17584 | 190.1 |
[M+Na-2H]- | 243.13666 | 156.7 |
[M]+ | 222.16144 | 156.6 |
[M]- | 222.16254 | 156.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.