CID 38074
1-benzylnaphthalene
Structural Information
- Molecular Formula
- C17H14
- SMILES
- C1=CC=C(C=C1)CC2=CC=CC3=CC=CC=C32
- InChI
- InChI=1S/C17H14/c1-2-7-14(8-3-1)13-16-11-6-10-15-9-4-5-12-17(15)16/h1-12H,13H2
- InChIKey
- KTHUKEZOIFYPEH-UHFFFAOYSA-N
- Compound name
- 1-benzylnaphthalene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 219.11682 | 147.9 |
[M+Na]+ | 241.09876 | 155.7 |
[M-H]- | 217.10226 | 155.3 |
[M+NH4]+ | 236.14336 | 167.1 |
[M+K]+ | 257.07270 | 150.3 |
[M+H-H2O]+ | 201.10680 | 140.3 |
[M+HCOO]- | 263.10774 | 171.1 |
[M+CH3COO]- | 277.12339 | 161.0 |
[M+Na-2H]- | 239.08421 | 156.9 |
[M]+ | 218.10899 | 147.0 |
[M]- | 218.11009 | 147.0 |