CID 3239817
1-hydroxy-4-oxahomoadamantan-5-one
Structural Information
- Molecular Formula
- C10H14O3
- SMILES
- C1C2CC3CC(C2)(CC1C(=O)O3)O
- InChI
- InChI=1S/C10H14O3/c11-9-7-1-6-2-8(13-9)5-10(12,3-6)4-7/h6-8,12H,1-5H2
- InChIKey
- IYOCRSOAYQUGEF-UHFFFAOYSA-N
- Compound name
- 1-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.10158 | 127.5 |
[M+Na]+ | 205.08352 | 131.9 |
[M+NH4]+ | 200.12812 | 135.7 |
[M+K]+ | 221.05746 | 129.9 |
[M-H]- | 181.08702 | 125.4 |
[M+Na-2H]- | 203.06897 | 125.8 |
[M]+ | 182.09375 | 127.5 |
[M]- | 182.09485 | 127.5 |