CID 15463587
Lumequoylacetone
Structural Information
- Molecular Formula
- C33H62O2
- SMILES
- CCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)C
- InChI
- InChI=1S/C33H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33(35)31-32(2)34/h10-11H,3-9,12-31H2,1-2H3/b11-10-
- InChIKey
- PYQSSJXHPITMSX-KHPPLWFESA-N
- Compound name
- (Z)-tritriacont-24-ene-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 491.48226 | 237.3 |
[M+Na]+ | 513.46420 | 244.8 |
[M-H]- | 489.46770 | 221.7 |
[M+NH4]+ | 508.50880 | 238.0 |
[M+K]+ | 529.43814 | 244.6 |
[M+H-H2O]+ | 473.47224 | 232.7 |
[M+HCOO]- | 535.47318 | 244.8 |
[M+CH3COO]- | 549.48883 | 249.4 |
[M+Na-2H]- | 511.44965 | 224.0 |
[M]+ | 490.47443 | 238.2 |
[M]- | 490.47553 | 238.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.