CID 408699

Gamma-4-methylpiperidinopropyl benzoate hydrochloride

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC1CCN(CC1)CCCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO2/c1-14-8-11-17(12-9-14)10-5-13-19-16(18)15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13H2,1H3
InChIKey
QBFBLKZXJRVUFZ-UHFFFAOYSA-N
Compound name
3-(4-methylpiperidin-1-yl)propyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 163.6
[M+Na]+ 284.16210 167.1
[M-H]- 260.16560 167.4
[M+NH4]+ 279.20670 178.4
[M+K]+ 300.13604 164.2
[M+H-H2O]+ 244.17014 154.8
[M+HCOO]- 306.17108 181.3
[M+CH3COO]- 320.18673 196.2
[M+Na-2H]- 282.14755 165.6
[M]+ 261.17233 161.3
[M]- 261.17343 161.3
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.