CID 7164595
3-(4-methylpiperazin-1-yl)benzonitrile
Structural Information
- Molecular Formula
- C12H15N3
- SMILES
- CN1CCN(CC1)C2=CC=CC(=C2)C#N
- InChI
- InChI=1S/C12H15N3/c1-14-5-7-15(8-6-14)12-4-2-3-11(9-12)10-13/h2-4,9H,5-8H2,1H3
- InChIKey
- OLELRAIMBYZQJO-UHFFFAOYSA-N
- Compound name
- 3-(4-methylpiperazin-1-yl)benzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 202.13388 | 149.8 |
[M+Na]+ | 224.11582 | 162.7 |
[M+NH4]+ | 219.16042 | 154.9 |
[M+K]+ | 240.08976 | 152.1 |
[M-H]- | 200.11932 | 145.9 |
[M+Na-2H]- | 222.10127 | 154.7 |
[M]+ | 201.12605 | 149.7 |
[M]- | 201.12715 | 149.7 |
Literature stripe
No literature data available for this compound.