CID 45240

3-(2-methylpiperidin-1-yl)propyl 4-ethoxybenzoate

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]+ 306.206376 175.4
[M+Na]+ 328.188318 178.8
[M-H]- 304.191824 179.1
[M+NH4]+ 323.232923 188.6
[M+K]+ 344.162258 176.1
[M+H-H2O]+ 288.196360 166.2
[M+HCOO]- 350.197301 192.5
[M+CH3COO]- 364.212951 205.4
[M+Na-2H]- 326.173766 175.7
[M]+ 305.19855142 175.7
[M]- 305.19964858 175.7
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.