CID 736490

122860-33-7

Structural Information

Molecular Formula

C₁₄H₁₉NO₃

SMILES

C1CN(CCC1CO)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H19NO3/c16-10-12-6-8-15(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12,16H,6-11H2

InChIKey

LINIORCIRVAZSM-UHFFFAOYSA-N

Compound name

benzyl 4-(hydroxymethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 394
Patents: 249.13649 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	250.14377	158.1
[M+Na]+	272.12571	162.1
[M-H]-	248.12921	161.0
[M+NH4]+	267.17031	172.7
[M+K]+	288.09965	159.4
[M+H-H2O]+	232.13375	149.9
[M+HCOO]-	294.13469	175.2
[M+CH3COO]-	308.15034	189.1
[M+Na-2H]-	270.11116	160.9
[M]+	249.13594	154.7
[M]-	249.13704	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe