CID 50609
Decyl 4-hydroxybenzoate
Structural Information
- Molecular Formula
- C17H26O3
- SMILES
- CCCCCCCCCCOC(=O)C1=CC=C(C=C1)O
- InChI
- InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-14-20-17(19)15-10-12-16(18)13-11-15/h10-13,18H,2-9,14H2,1H3
- InChIKey
- GMMXJVUYXPXLPY-UHFFFAOYSA-N
- Compound name
- decyl 4-hydroxybenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 279.19548 | 169.8 |
[M+Na]+ | 301.17742 | 174.2 |
[M-H]- | 277.18092 | 170.9 |
[M+NH4]+ | 296.22202 | 185.3 |
[M+K]+ | 317.15136 | 170.9 |
[M+H-H2O]+ | 261.18546 | 162.7 |
[M+HCOO]- | 323.18640 | 190.1 |
[M+CH3COO]- | 337.20205 | 199.2 |
[M+Na-2H]- | 299.16287 | 171.2 |
[M]+ | 278.18765 | 174.0 |
[M]- | 278.18875 | 174.0 |