CID 21648709
5-methylheptane-2,4-diol
Structural Information
- Molecular Formula
- C8H18O2
- SMILES
- CCC(C)C(CC(C)O)O
- InChI
- InChI=1S/C8H18O2/c1-4-6(2)8(10)5-7(3)9/h6-10H,4-5H2,1-3H3
- InChIKey
- FNWJZNQLNMUDGE-UHFFFAOYSA-N
- Compound name
- 5-methylheptane-2,4-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 147.13796 | 136.7 |
[M+Na]+ | 169.11990 | 141.6 |
[M-H]- | 145.12340 | 134.0 |
[M+NH4]+ | 164.16450 | 156.7 |
[M+K]+ | 185.09384 | 141.3 |
[M+H-H2O]+ | 129.12794 | 132.4 |
[M+HCOO]- | 191.12888 | 154.3 |
[M+CH3COO]- | 205.14453 | 174.5 |
[M+Na-2H]- | 167.10535 | 137.7 |
[M]+ | 146.13013 | 135.8 |
[M]- | 146.13123 | 135.8 |
Literature stripe
No literature data available for this compound.