CID 103752
2-phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile
Structural Information
- Molecular Formula
- C19H28N2
- SMILES
- CCC(C)C(CCN1CCCCC1)(C#N)C2=CC=CC=C2
- InChI
- InChI=1S/C19H28N2/c1-3-17(2)19(16-20,18-10-6-4-7-11-18)12-15-21-13-8-5-9-14-21/h4,6-7,10-11,17H,3,5,8-9,12-15H2,1-2H3
- InChIKey
- JHWFWJSHRYEDOF-UHFFFAOYSA-N
- Compound name
- 3-methyl-2-phenyl-2-(2-piperidin-1-ylethyl)pentanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 285.23253 | 172.8 |
[M+Na]+ | 307.21447 | 177.2 |
[M-H]- | 283.21797 | 175.0 |
[M+NH4]+ | 302.25907 | 185.0 |
[M+K]+ | 323.18841 | 171.4 |
[M+H-H2O]+ | 267.22251 | 157.8 |
[M+HCOO]- | 329.22345 | 184.4 |
[M+CH3COO]- | 343.23910 | 213.0 |
[M+Na-2H]- | 305.19992 | 174.4 |
[M]+ | 284.22470 | 163.9 |
[M]- | 284.22580 | 163.9 |
Literature stripe
No literature data available for this compound.