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]+ 318.20638 178.5
[M+Na]+ 340.18832 181.8
[M-H]- 316.19182 182.1
[M+NH4]+ 335.23292 191.1
[M+K]+ 356.16226 178.2
[M+H-H2O]+ 300.19636 169.2
[M+HCOO]- 362.19730 195.5
[M+CH3COO]- 376.21295 207.6
[M+Na-2H]- 338.17377 178.3
[M]+ 317.19855 178.5
[M]- 317.19965 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.