CID 45317

3-(2'-methylpiperidino)propyl p-allyloxybenzoate

Structural Information

Molecular Formula
C19H27NO3
SMILES
CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OCC=C
InChI
InChI=1S/C19H27NO3/c1-3-14-22-18-10-8-17(9-11-18)19(21)23-15-6-13-20-12-5-4-7-16(20)2/h3,8-11,16H,1,4-7,12-15H2,2H3
InChIKey
BBAOAXCNMFWVBH-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 4-prop-2-enoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1991 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.206376 178.5
[M+Na]+ 340.188318 181.8
[M-H]- 316.191824 182.1
[M+NH4]+ 335.232923 191.1
[M+K]+ 356.162258 178.2
[M+H-H2O]+ 300.196360 169.2
[M+HCOO]- 362.197301 195.5
[M+CH3COO]- 376.212951 207.6
[M+Na-2H]- 338.173766 178.3
[M]+ 317.19855142 178.5
[M]- 317.19964858 178.5
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.