CID 2776272

138163-08-3

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

C1CN(CCC1C=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H17NO3/c16-10-12-6-8-15(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2

InChIKey

ZJQMLJFHCKTCSF-UHFFFAOYSA-N

Compound name

benzyl 4-formylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1454
Patents: 247.12085 Da
Monoisotopic Mass: 1.6
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]+	248.12813	156.4
[M+Na]+	270.11007	161.1
[M-H]-	246.11357	160.7
[M+NH4]+	265.15467	171.7
[M+K]+	286.08401	158.7
[M+H-H2O]+	230.11811	148.0
[M+HCOO]-	292.11905	175.2
[M+CH3COO]-	306.13470	190.8
[M+Na-2H]-	268.09552	159.6
[M]+	247.12030	154.2
[M]-	247.12140	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe