CID 80036
2,7-dimethylocta-3,5-diyne-2,7-diol
Structural Information
- Molecular Formula
- C10H14O2
- SMILES
- CC(C)(C#CC#CC(C)(C)O)O
- InChI
- InChI=1S/C10H14O2/c1-9(2,11)7-5-6-8-10(3,4)12/h11-12H,1-4H3
- InChIKey
- CKVWIEREOYIKNC-UHFFFAOYSA-N
- Compound name
- 2,7-dimethylocta-3,5-diyne-2,7-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 167.10666 | 157.3 |
[M+Na]+ | 189.08860 | 166.2 |
[M-H]- | 165.09210 | 157.0 |
[M+NH4]+ | 184.13320 | 170.3 |
[M+K]+ | 205.06254 | 163.8 |
[M+H-H2O]+ | 149.09664 | 145.2 |
[M+HCOO]- | 211.09758 | 163.3 |
[M+CH3COO]- | 225.11323 | 203.2 |
[M+Na-2H]- | 187.07405 | 158.7 |
[M]+ | 166.09883 | 148.6 |
[M]- | 166.09993 | 148.6 |