CID 201850

7012-68-2

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CN1CCN(CC1)C(CC2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C15H22N2O2/c1-16-8-10-17(11-9-16)14(15(18)19-2)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKey
YOJJHTJTTPDRCW-UHFFFAOYSA-N
Compound name
methyl 2-(4-methylpiperazin-1-yl)-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 163.4
[M+Na]+ 285.15734 167.0
[M-H]- 261.16084 166.0
[M+NH4]+ 280.20194 176.7
[M+K]+ 301.13128 164.7
[M+H-H2O]+ 245.16538 154.0
[M+HCOO]- 307.16632 179.0
[M+CH3COO]- 321.18197 196.8
[M+Na-2H]- 283.14279 164.9
[M]+ 262.16757 160.7
[M]- 262.16867 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.