CID 12395962
2,2-dimethyloxane
Structural Information
- Molecular Formula
- C7H14O
- SMILES
- CC1(CCCCO1)C
- InChI
- InChI=1S/C7H14O/c1-7(2)5-3-4-6-8-7/h3-6H2,1-2H3
- InChIKey
- SWZUJPXFLKZGLI-UHFFFAOYSA-N
- Compound name
- 2,2-dimethyloxane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 115.11174 | 122.6 |
[M+Na]+ | 137.09368 | 128.7 |
[M-H]- | 113.09718 | 126.6 |
[M+NH4]+ | 132.13828 | 145.9 |
[M+K]+ | 153.06762 | 129.9 |
[M+H-H2O]+ | 97.101720 | 118.3 |
[M+HCOO]- | 159.10266 | 142.8 |
[M+CH3COO]- | 173.11831 | 167.9 |
[M+Na-2H]- | 135.07913 | 131.1 |
[M]+ | 114.10391 | 119.8 |
[M]- | 114.10501 | 119.8 |