CID 3077579

134826-27-0

Structural Information

Molecular Formula
C18H27NO4
SMILES
CCC(=O)OC1CCN(CC1)CCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C18H27NO4/c1-4-18(20)23-15-8-11-19(12-9-15)10-7-14-5-6-16(21-2)17(13-14)22-3/h5-6,13,15H,4,7-12H2,1-3H3
InChIKey
KNYXFXLKJNEXKA-UHFFFAOYSA-N
Compound name
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.194 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.20128 177.8
[M+Na]+ 344.18322 182.1
[M-H]- 320.18672 182.0
[M+NH4]+ 339.22782 190.6
[M+K]+ 360.15716 180.0
[M+H-H2O]+ 304.19126 168.7
[M+HCOO]- 366.19220 195.2
[M+CH3COO]- 380.20785 208.7
[M+Na-2H]- 342.16867 177.6
[M]+ 321.19345 180.0
[M]- 321.19455 180.0
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.