CID 88241
3-ethyl-3-heptanol
Structural Information
- Molecular Formula
- C9H20O
- SMILES
- CCCCC(CC)(CC)O
- InChI
- InChI=1S/C9H20O/c1-4-7-8-9(10,5-2)6-3/h10H,4-8H2,1-3H3
- InChIKey
- XKRZDNKKANUBPV-UHFFFAOYSA-N
- Compound name
- 3-ethylheptan-3-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 145.15869 | 136.3 |
[M+Na]+ | 167.14063 | 142.4 |
[M-H]- | 143.14413 | 135.0 |
[M+NH4]+ | 162.18523 | 157.6 |
[M+K]+ | 183.11457 | 141.4 |
[M+H-H2O]+ | 127.14867 | 132.4 |
[M+HCOO]- | 189.14961 | 156.4 |
[M+CH3COO]- | 203.16526 | 176.0 |
[M+Na-2H]- | 165.12608 | 142.0 |
[M]+ | 144.15086 | 137.8 |
[M]- | 144.15196 | 137.8 |