CID 48277

Phenylacetic acid 3-(2,6-dimethylpiperidino)propyl ester hydrochloride

Structural Information

Molecular Formula
C18H27NO2
SMILES
CC1CCCC(N1CCCOC(=O)CC2=CC=CC=C2)C
InChI
InChI=1S/C18H27NO2/c1-15-8-6-9-16(2)19(15)12-7-13-21-18(20)14-17-10-4-3-5-11-17/h3-5,10-11,15-16H,6-9,12-14H2,1-2H3
InChIKey
GCGNAKYXUVWJQW-UHFFFAOYSA-N
Compound name
3-(2,6-dimethylpiperidin-1-yl)propyl 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 172.4
[M+Na]+ 312.19342 175.9
[M-H]- 288.19692 176.2
[M+NH4]+ 307.23802 186.3
[M+K]+ 328.16736 172.6
[M+H-H2O]+ 272.20146 163.5
[M+HCOO]- 334.20240 189.3
[M+CH3COO]- 348.21805 203.3
[M+Na-2H]- 310.17887 172.6
[M]+ 289.20365 171.2
[M]- 289.20475 171.2
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.