CID 48991

Benzoic acid, 3-(4-isopropylpiperidino)propyl ester, hydrochloride

Structural Information

Molecular Formula
C18H27NO2
SMILES
CC(C)C1CCN(CC1)CCCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H27NO2/c1-15(2)16-9-12-19(13-10-16)11-6-14-21-18(20)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3
InChIKey
GGAMSFKNUOJUBW-UHFFFAOYSA-N
Compound name
3-(4-propan-2-ylpiperidin-1-yl)propyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2042 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 172.5
[M+Na]+ 312.19342 183.5
[M+NH4]+ 307.23802 179.9
[M+K]+ 328.16736 176.4
[M-H]- 288.19692 175.5
[M+Na-2H]- 310.17887 178.1
[M]+ 289.20365 174.7
[M]- 289.20475 174.7
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.