CID 6434770

Cinnamic acid, 3-(2'-methylpiperidino)propyl ester

Structural Information

Molecular Formula
C18H25NO2
SMILES
CC1CCCCN1CCCOC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H25NO2/c1-16-8-5-6-13-19(16)14-7-15-21-18(20)12-11-17-9-3-2-4-10-17/h2-4,9-12,16H,5-8,13-15H2,1H3/b12-11+
InChIKey
SEBFSSWJENDFFN-VAWYXSNFSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.18854 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.195816 171.6
[M+Na]+ 310.177758 174.6
[M-H]- 286.181264 175.1
[M+NH4]+ 305.222363 185.3
[M+K]+ 326.151698 170.6
[M+H-H2O]+ 270.185800 162.5
[M+HCOO]- 332.186741 188.8
[M+CH3COO]- 346.202391 200.7
[M+Na-2H]- 308.163206 172.6
[M]+ 287.18799142 169.3
[M]- 287.18908858 169.3
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.