CID 45240

63916-80-3

Structural Information

Molecular Formula
C18H27NO3
SMILES
CCOC1=CC=C(C=C1)C(=O)OCCCN2CCCCC2C
InChI
InChI=1S/C18H27NO3/c1-3-21-17-10-8-16(9-11-17)18(20)22-14-6-13-19-12-5-4-7-15(19)2/h8-11,15H,3-7,12-14H2,1-2H3
InChIKey
ZNSUNUVCVXQNKB-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20638 175.5
[M+Na]+ 328.18832 186.7
[M+NH4]+ 323.23292 182.4
[M+K]+ 344.16226 179.5
[M-H]- 304.19182 178.2
[M+Na-2H]- 326.17377 180.7
[M]+ 305.19855 177.7
[M]- 305.19965 177.7
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.