CID 3048307
Brn 1461039
Structural Information
- Molecular Formula
- C15H15NO
- SMILES
- C1[C@@H]([C@H]1[C@@H](C2=CN=CC=C2)O)C3=CC=CC=C3
- InChI
- InChI=1S/C15H15NO/c17-15(12-7-4-8-16-10-12)14-9-13(14)11-5-2-1-3-6-11/h1-8,10,13-15,17H,9H2/t13-,14+,15-/m1/s1
- InChIKey
- XSRKDWMLXICUMM-QLFBSQMISA-N
- Compound name
- (S)-[(1S,2S)-2-phenylcyclopropyl]-pyridin-3-ylmethanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 226.12265 | 148.8 |
[M+Na]+ | 248.10459 | 157.1 |
[M-H]- | 224.10809 | 156.4 |
[M+NH4]+ | 243.14919 | 159.9 |
[M+K]+ | 264.07853 | 152.5 |
[M+H-H2O]+ | 208.11263 | 140.6 |
[M+HCOO]- | 270.11357 | 170.3 |
[M+CH3COO]- | 284.12922 | 160.6 |
[M+Na-2H]- | 246.09004 | 154.7 |
[M]+ | 225.11482 | 149.1 |
[M]- | 225.11592 | 149.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.