CID 14025338

Methyl 1-benzyl-3-hydroxypiperidine-3-carboxylate

Structural Information

Molecular Formula
C14H19NO3
SMILES
COC(=O)C1(CCCN(C1)CC2=CC=CC=C2)O
InChI
InChI=1S/C14H19NO3/c1-18-13(16)14(17)8-5-9-15(11-14)10-12-6-3-2-4-7-12/h2-4,6-7,17H,5,8-11H2,1H3
InChIKey
UBXOGDCEHWDILC-UHFFFAOYSA-N
Compound name
methyl 1-benzyl-3-hydroxypiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

249.13649 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 158.2
[M+Na]+ 272.12571 163.1
[M-H]- 248.12921 161.4
[M+NH4]+ 267.17031 174.8
[M+K]+ 288.09965 160.7
[M+H-H2O]+ 232.13375 150.6
[M+HCOO]- 294.13469 175.3
[M+CH3COO]- 308.15034 189.3
[M+Na-2H]- 270.11116 162.0
[M]+ 249.13594 155.2
[M]- 249.13704 155.2
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