CID 48271

66902-56-5

Structural Information

Molecular Formula
C19H29NO3
SMILES
CC1CCCC(N1CCCOC(=O)CC2=CC=C(C=C2)OC)C
InChI
InChI=1S/C19H29NO3/c1-15-6-4-7-16(2)20(15)12-5-13-23-19(21)14-17-8-10-18(22-3)11-9-17/h8-11,15-16H,4-7,12-14H2,1-3H3
InChIKey
PFYGHZPITJPIQI-UHFFFAOYSA-N
Compound name
3-(2,6-dimethylpiperidin-1-yl)propyl 2-(4-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.222026 179.6
[M+Na]+ 342.203968 183.5
[M-H]- 318.207474 183.5
[M+NH4]+ 337.248573 192.5
[M+K]+ 358.177908 180.6
[M+H-H2O]+ 302.212010 170.5
[M+HCOO]- 364.212951 196.4
[M+CH3COO]- 378.228601 209.6
[M+Na-2H]- 340.189416 178.7
[M]+ 319.21420142 180.7
[M]- 319.21529858 180.7
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.