CID 10059878

Methyl 1-benzylpiperidine-3-carboxylate

Structural Information

Molecular Formula
C14H19NO2
SMILES
COC(=O)C1CCCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c1-17-14(16)13-8-5-9-15(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKey
UWMYSVPWAUCMJY-UHFFFAOYSA-N
Compound name
methyl 1-benzylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.5
[M+Na]+ 256.13081 158.9
[M-H]- 232.13431 158.7
[M+NH4]+ 251.17541 170.4
[M+K]+ 272.10475 156.4
[M+H-H2O]+ 216.13885 146.1
[M+HCOO]- 278.13979 172.8
[M+CH3COO]- 292.15544 190.2
[M+Na-2H]- 254.11626 157.6
[M]+ 233.14104 151.5
[M]- 233.14214 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe