CID 45231

63916-69-8

Structural Information

Molecular Formula
C20H31NO3
SMILES
CCC(C)OC1=CC=C(C=C1)C(=O)OCCCN2CCCCC2C
InChI
InChI=1S/C20H31NO3/c1-4-17(3)24-19-11-9-18(10-12-19)20(22)23-15-7-14-21-13-6-5-8-16(21)2/h9-12,16-17H,4-8,13-15H2,1-3H3
InChIKey
VVFLDPAQGSOAKR-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 4-butan-2-yloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.2304 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.23768 183.8
[M+Na]+ 356.21962 194.2
[M+NH4]+ 351.26422 190.2
[M+K]+ 372.19356 187.4
[M-H]- 332.22312 186.2
[M+Na-2H]- 354.20507 188.2
[M]+ 333.22985 185.7
[M]- 333.23095 185.7
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.