CID 120927

Dtxsid20940232

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC1=C(C(=CC=C1)C)OC(=O)C(C)N2CCN(CC2)C
InChI
InChI=1S/C16H24N2O2/c1-12-6-5-7-13(2)15(12)20-16(19)14(3)18-10-8-17(4)9-11-18/h5-7,14H,8-11H2,1-4H3
InChIKey
OQSRIGQFAFBGHU-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl) 2-(4-methylpiperazin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 167.3
[M+Na]+ 299.172998 172.5
[M-H]- 275.176504 170.5
[M+NH4]+ 294.217603 180.7
[M+K]+ 315.146938 169.9
[M+H-H2O]+ 259.181040 158.3
[M+HCOO]- 321.181981 182.6
[M+CH3COO]- 335.197631 202.2
[M+Na-2H]- 297.158446 166.9
[M]+ 276.18323142 165.8
[M]- 276.18432858 165.8
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.