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]+ 264.15941 161.7
[M+Na]+ 286.14135 166.5
[M-H]- 262.14485 166.1
[M+NH4]+ 281.18595 176.7
[M+K]+ 302.11529 164.5
[M+H-H2O]+ 246.14939 153.2
[M+HCOO]- 308.15033 179.9
[M+CH3COO]- 322.16598 196.4
[M+Na-2H]- 284.12680 163.7
[M]+ 263.15158 161.0
[M]- 263.15268 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