CID 11819850
3-((benzyloxy)methyl)cyclobutanone
Structural Information
- Molecular Formula
- C12H14O2
- SMILES
- C1C(CC1=O)COCC2=CC=CC=C2
- InChI
- InChI=1S/C12H14O2/c13-12-6-11(7-12)9-14-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
- InChIKey
- FHBBBGYOVFMVIB-UHFFFAOYSA-N
- Compound name
- 3-(phenylmethoxymethyl)cyclobutan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 191.10666 | 135.6 |
[M+Na]+ | 213.08860 | 141.5 |
[M-H]- | 189.09210 | 142.0 |
[M+NH4]+ | 208.13320 | 148.8 |
[M+K]+ | 229.06254 | 142.4 |
[M+H-H2O]+ | 173.09664 | 124.3 |
[M+HCOO]- | 235.09758 | 158.2 |
[M+CH3COO]- | 249.11323 | 186.2 |
[M+Na-2H]- | 211.07405 | 141.6 |
[M]+ | 190.09883 | 144.9 |
[M]- | 190.09993 | 144.9 |