CID 410468
1-(2-phenylethyl)pyridinium chloride
Structural Information
- Molecular Formula
- C13H14N
- SMILES
- C1=CC=C(C=C1)CC[N+]2=CC=CC=C2
- InChI
- InChI=1S/C13H14N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1-8,10-11H,9,12H2/q+1
- InChIKey
- MGMFSGVTTUUFOE-UHFFFAOYSA-N
- Compound name
- 1-(2-phenylethyl)pyridin-1-ium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 185.11991 | 142.2 |
[M+Na]+ | 207.10185 | 149.2 |
[M-H]- | 183.10535 | 147.5 |
[M+NH4]+ | 202.14645 | 160.0 |
[M+K]+ | 223.07579 | 140.0 |
[M+H-H2O]+ | 167.10989 | 137.0 |
[M+HCOO]- | 229.11083 | 165.3 |
[M+CH3COO]- | 243.12648 | 175.5 |
[M+Na-2H]- | 205.08730 | 153.0 |
[M]+ | 184.11208 | 140.3 |
[M]- | 184.11318 | 140.3 |