CID 44828983
Methyl 4-(3-methylpiperazin-1-yl)benzoate
Structural Information
- Molecular Formula
- C13H18N2O2
- SMILES
- CC1CN(CCN1)C2=CC=C(C=C2)C(=O)OC
- InChI
- InChI=1S/C13H18N2O2/c1-10-9-15(8-7-14-10)12-5-3-11(4-6-12)13(16)17-2/h3-6,10,14H,7-9H2,1-2H3
- InChIKey
- NHABNVYVQXLSEG-UHFFFAOYSA-N
- Compound name
- methyl 4-(3-methylpiperazin-1-yl)benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 235.14411 | 155.1 |
[M+Na]+ | 257.12605 | 160.5 |
[M-H]- | 233.12955 | 157.0 |
[M+NH4]+ | 252.17065 | 169.2 |
[M+K]+ | 273.09999 | 157.2 |
[M+H-H2O]+ | 217.13409 | 146.5 |
[M+HCOO]- | 279.13503 | 170.9 |
[M+CH3COO]- | 293.15068 | 188.6 |
[M+Na-2H]- | 255.11150 | 157.6 |
[M]+ | 234.13628 | 150.9 |
[M]- | 234.13738 | 150.9 |
Literature stripe
No literature data available for this compound.