CID 4741226
1171517-89-7
Structural Information
- Molecular Formula
- C13H17ClN2O
- SMILES
- CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCl
- InChI
- InChI=1S/C13H17ClN2O/c1-11-3-2-4-12(9-11)15-5-7-16(8-6-15)13(17)10-14/h2-4,9H,5-8,10H2,1H3
- InChIKey
- LWXVGFPRFDLRJT-UHFFFAOYSA-N
- Compound name
- 2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 253.11022 | 157.1 |
[M+Na]+ | 275.09216 | 163.7 |
[M-H]- | 251.09566 | 160.1 |
[M+NH4]+ | 270.13676 | 172.1 |
[M+K]+ | 291.06610 | 159.0 |
[M+H-H2O]+ | 235.10020 | 148.8 |
[M+HCOO]- | 297.10114 | 169.6 |
[M+CH3COO]- | 311.11679 | 192.8 |
[M+Na-2H]- | 273.07761 | 159.6 |
[M]+ | 252.10239 | 155.3 |
[M]- | 252.10349 | 155.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.