CID 56654447
Ubp684
Structural Information
- Molecular Formula
- C17H20O2
- SMILES
- CC(C)CCCC1=CC2=C(C=C1)C=C(C=C2)C(=O)O
- InChI
- InChI=1S/C17H20O2/c1-12(2)4-3-5-13-6-7-15-11-16(17(18)19)9-8-14(15)10-13/h6-12H,3-5H2,1-2H3,(H,18,19)
- InChIKey
- ZQLORCYRMVILSV-UHFFFAOYSA-N
- Compound name
- 6-(4-methylpentyl)naphthalene-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 257.15361 | 160.6 |
[M+Na]+ | 279.13555 | 167.0 |
[M-H]- | 255.13905 | 163.4 |
[M+NH4]+ | 274.18015 | 178.1 |
[M+K]+ | 295.10949 | 163.1 |
[M+H-H2O]+ | 239.14359 | 154.2 |
[M+HCOO]- | 301.14453 | 179.4 |
[M+CH3COO]- | 315.16018 | 197.5 |
[M+Na-2H]- | 277.12100 | 163.4 |
[M]+ | 256.14578 | 161.9 |
[M]- | 256.14688 | 161.9 |