CID 48930

Gamma-piperidinopropyl benzoate hydrochloride

Structural Information

Molecular Formula
C15H21NO2
SMILES
C1CCN(CC1)CCCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c17-15(14-8-3-1-4-9-14)18-13-7-12-16-10-5-2-6-11-16/h1,3-4,8-9H,2,5-7,10-13H2
InChIKey
XLJWNWIRMPJXHZ-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

247.15723 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 159.3
[M+Na]+ 270.14645 162.2
[M-H]- 246.14995 162.8
[M+NH4]+ 265.19105 174.3
[M+K]+ 286.12039 159.5
[M+H-H2O]+ 230.15449 150.4
[M+HCOO]- 292.15543 177.2
[M+CH3COO]- 306.17108 192.1
[M+Na-2H]- 268.13190 162.5
[M]+ 247.15668 156.2
[M]- 247.15778 156.2
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

patents stripe