CID 2757948
1-(3-cyanobenzyl)piperazine
Structural Information
- Molecular Formula
- C12H15N3
- SMILES
- C1CN(CCN1)CC2=CC(=CC=C2)C#N
- InChI
- InChI=1S/C12H15N3/c13-9-11-2-1-3-12(8-11)10-15-6-4-14-5-7-15/h1-3,8,14H,4-7,10H2
- InChIKey
- XDYXEYUQBGLAOZ-UHFFFAOYSA-N
- Compound name
- 3-(piperazin-1-ylmethyl)benzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 202.13388 | 151.5 |
[M+Na]+ | 224.11582 | 163.5 |
[M+NH4]+ | 219.16042 | 156.3 |
[M+K]+ | 240.08976 | 153.0 |
[M-H]- | 200.11932 | 147.1 |
[M+Na-2H]- | 222.10127 | 155.9 |
[M]+ | 201.12605 | 151.1 |
[M]- | 201.12715 | 151.1 |
Literature stripe
No literature data available for this compound.