CID 11007989
1-oxaspiro[4.4]nonan-2-one
Structural Information
- Molecular Formula
- C8H12O2
- SMILES
- C1CCC2(C1)CCC(=O)O2
- InChI
- InChI=1S/C8H12O2/c9-7-3-6-8(10-7)4-1-2-5-8/h1-6H2
- InChIKey
- JFVMNDINHUZJDN-UHFFFAOYSA-N
- Compound name
- 1-oxaspiro[4.4]nonan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 141.09100 | 129.1 |
[M+Na]+ | 163.07294 | 135.8 |
[M-H]- | 139.07644 | 135.0 |
[M+NH4]+ | 158.11754 | 154.8 |
[M+K]+ | 179.04688 | 135.9 |
[M+H-H2O]+ | 123.08098 | 125.0 |
[M+HCOO]- | 185.08192 | 150.8 |
[M+CH3COO]- | 199.09757 | 168.9 |
[M+Na-2H]- | 161.05839 | 134.0 |
[M]+ | 140.08317 | 125.6 |
[M]- | 140.08427 | 125.6 |