CID 78168069
9025-13-2
Structural Information
- Molecular Formula
- C20H30O2
- SMILES
- C#CC(C=CCCCCCCCCCCC=CC(C#C)O)O
- InChI
- InChI=1S/C20H30O2/c1-3-19(21)17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(22)4-2/h1-2,15-22H,5-14H2
- InChIKey
- JVVMUHJDTNMVHZ-UHFFFAOYSA-N
- Compound name
- icosa-4,16-dien-1,19-diyne-3,18-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 303.23186 | 177.5 |
[M+Na]+ | 325.21380 | 183.7 |
[M-H]- | 301.21730 | 175.7 |
[M+NH4]+ | 320.25840 | 186.7 |
[M+K]+ | 341.18774 | 178.1 |
[M+H-H2O]+ | 285.22184 | 163.7 |
[M+HCOO]- | 347.22278 | 182.5 |
[M+CH3COO]- | 361.23843 | 222.2 |
[M+Na-2H]- | 323.19925 | 173.8 |
[M]+ | 302.22403 | 170.4 |
[M]- | 302.22513 | 170.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.