CID 143841
3,9-dodecadiyne
Structural Information
- Molecular Formula
- C12H18
- SMILES
- CCC#CCCCCC#CCC
- InChI
- InChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,9-12H2,1-2H3
- InChIKey
- SLQXYOMUNKJHRV-UHFFFAOYSA-N
- Compound name
- dodeca-3,9-diyne
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 163.14813 | 145.6 |
[M+Na]+ | 185.13007 | 154.8 |
[M-H]- | 161.13357 | 146.5 |
[M+NH4]+ | 180.17467 | 159.8 |
[M+K]+ | 201.10401 | 151.0 |
[M+H-H2O]+ | 145.13811 | 132.6 |
[M+HCOO]- | 207.13905 | 155.1 |
[M+CH3COO]- | 221.15470 | 207.3 |
[M+Na-2H]- | 183.11552 | 147.6 |
[M]+ | 162.14030 | 139.0 |
[M]- | 162.14140 | 139.0 |