CID 13520416
3-benzylpiperazin-2-one hydrochloride
Structural Information
- Molecular Formula
- C11H14N2O
- SMILES
- C1CNC(=O)C(N1)CC2=CC=CC=C2
- InChI
- InChI=1S/C11H14N2O/c14-11-10(12-6-7-13-11)8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)
- InChIKey
- XEJMAPBQIWVIRL-UHFFFAOYSA-N
- Compound name
- 3-benzylpiperazin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 191.11789 | 143.4 |
[M+Na]+ | 213.09983 | 148.6 |
[M-H]- | 189.10333 | 143.7 |
[M+NH4]+ | 208.14443 | 158.3 |
[M+K]+ | 229.07377 | 143.8 |
[M+H-H2O]+ | 173.10787 | 135.3 |
[M+HCOO]- | 235.10881 | 159.2 |
[M+CH3COO]- | 249.12446 | 176.6 |
[M+Na-2H]- | 211.08528 | 148.4 |
[M]+ | 190.11006 | 135.5 |
[M]- | 190.11116 | 135.5 |
Literature stripe
No literature data available for this compound.