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]+ 322.201276 177.8
[M+Na]+ 344.183218 182.1
[M-H]- 320.186724 182.0
[M+NH4]+ 339.227823 190.6
[M+K]+ 360.157158 180.0
[M+H-H2O]+ 304.191260 168.7
[M+HCOO]- 366.192201 195.2
[M+CH3COO]- 380.207851 208.7
[M+Na-2H]- 342.168666 177.6
[M]+ 321.19345142 180.0
[M]- 321.19454858 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.