CID 47012

64050-43-7

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCCOC1=CC=C(C=C1)C(=O)OCCCN2CCCCC2C
InChI
InChI=1S/C19H29NO3/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/h8-11,16H,3-7,12-15H2,1-2H3
InChIKey
QSJRZMPYHHJWKX-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.222026 179.9
[M+Na]+ 342.203968 182.9
[M-H]- 318.207474 183.4
[M+NH4]+ 337.248573 192.5
[M+K]+ 358.177908 179.9
[M+H-H2O]+ 302.212010 170.5
[M+HCOO]- 364.212951 196.7
[M+CH3COO]- 378.228601 208.4
[M+Na-2H]- 340.189416 179.6
[M]+ 319.21420142 180.5
[M]- 319.21529858 180.5
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.