CID 48273

66902-57-6

Structural Information

Molecular Formula
C18H27NO3
SMILES
CC1CCCCN1CCCOC(=O)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C18H27NO3/c1-15-6-3-4-11-19(15)12-5-13-22-18(20)14-16-7-9-17(21-2)10-8-16/h7-10,15H,3-6,11-14H2,1-2H3
InChIKey
OTIWXOMAOLQBPE-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 2-(4-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20638 175.4
[M+Na]+ 328.18832 178.8
[M-H]- 304.19182 179.1
[M+NH4]+ 323.23292 188.6
[M+K]+ 344.16226 176.1
[M+H-H2O]+ 288.19636 166.2
[M+HCOO]- 350.19730 192.5
[M+CH3COO]- 364.21295 205.4
[M+Na-2H]- 326.17377 175.7
[M]+ 305.19855 175.7
[M]- 305.19965 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.