CID 43216551

Methyl 4-[(4-methoxypiperidin-1-yl)methyl]benzoate

Structural Information

Molecular Formula
C15H21NO3
SMILES
COC1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C15H21NO3/c1-18-14-7-9-16(10-8-14)11-12-3-5-13(6-4-12)15(17)19-2/h3-6,14H,7-11H2,1-2H3
InChIKey
RGOBTRIQZSBWBK-UHFFFAOYSA-N
Compound name
methyl 4-[(4-methoxypiperidin-1-yl)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.15213 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 161.7
[M+Na]+ 286.141348 166.5
[M-H]- 262.144854 166.1
[M+NH4]+ 281.185953 176.7
[M+K]+ 302.115288 164.5
[M+H-H2O]+ 246.149390 153.2
[M+HCOO]- 308.150331 179.9
[M+CH3COO]- 322.165981 196.4
[M+Na-2H]- 284.126796 163.7
[M]+ 263.15158142 161.0
[M]- 263.15267858 161.0
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