CID 104173
52364-73-5
Structural Information
- Molecular Formula
- C21H25NO
- SMILES
- CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
- InChI
- InChI=1S/C21H25NO/c1-2-3-4-5-6-7-16-23-21-14-12-20(13-15-21)19-10-8-18(17-22)9-11-19/h8-15H,2-7,16H2,1H3
- InChIKey
- GPGGNNIMKOVSAG-UHFFFAOYSA-N
- Compound name
- 4-(4-octoxyphenyl)benzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 308.20088 | 176.4 |
[M+Na]+ | 330.18282 | 184.6 |
[M-H]- | 306.18632 | 180.9 |
[M+NH4]+ | 325.22742 | 189.7 |
[M+K]+ | 346.15676 | 177.5 |
[M+H-H2O]+ | 290.19086 | 161.7 |
[M+HCOO]- | 352.19180 | 195.1 |
[M+CH3COO]- | 366.20745 | 217.8 |
[M+Na-2H]- | 328.16827 | 178.8 |
[M]+ | 307.19305 | 174.5 |
[M]- | 307.19415 | 174.5 |