CID 11141768
Diplyne e
Structural Information
- Molecular Formula
- C16H17BrO2
- SMILES
- C(CCC#CC#CC(CO)O)C/C=C/C#C/C=C/Br
- InChI
- InChI=1S/C16H17BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h4,6,12,14,16,18-19H,1-3,5,15H2/b6-4+,14-12+
- InChIKey
- DJSFMRMJRHIIBW-LZUOLKHISA-N
- Compound name
- (11E,15E)-16-bromohexadeca-11,15-dien-3,5,13-triyne-1,2-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 321.04848 | 169.2 |
[M+Na]+ | 343.03042 | 178.0 |
[M-H]- | 319.03392 | 170.1 |
[M+NH4]+ | 338.07502 | 176.2 |
[M+K]+ | 359.00436 | 169.6 |
[M+H-H2O]+ | 303.03846 | 160.3 |
[M+HCOO]- | 365.03940 | 173.7 |
[M+CH3COO]- | 379.05505 | 233.2 |
[M+Na-2H]- | 341.01587 | 167.1 |
[M]+ | 320.04065 | 168.5 |
[M]- | 320.04175 | 168.5 |
Literature stripe
Patent stripe
No patent data available for this compound.