CID 642802
4-[4-(pyridin-4-yl)buta-1,3-diyn-1-yl]pyridine
Structural Information
- Molecular Formula
- C14H8N2
- SMILES
- C1=CN=CC=C1C#CC#CC2=CC=NC=C2
- InChI
- InChI=1S/C14H8N2/c1(3-13-5-9-15-10-6-13)2-4-14-7-11-16-12-8-14/h5-12H
- InChIKey
- BKRBETINLDNENR-UHFFFAOYSA-N
- Compound name
- 4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 205.07602 | 156.4 |
[M+Na]+ | 227.05796 | 166.4 |
[M-H]- | 203.06146 | 156.3 |
[M+NH4]+ | 222.10256 | 165.9 |
[M+K]+ | 243.03190 | 158.7 |
[M+H-H2O]+ | 187.06600 | 139.2 |
[M+HCOO]- | 249.06694 | 164.2 |
[M+CH3COO]- | 263.08259 | 162.4 |
[M+Na-2H]- | 225.04341 | 159.1 |
[M]+ | 204.06819 | 146.0 |
[M]- | 204.06929 | 146.0 |