CID 57345

98173-60-5

Structural Information

Molecular Formula

C₁₇H₂₂N₂O₂

SMILES

CCOC(=O)C1(CCN(CC1)CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O2/c1-2-21-16(20)17(15-7-4-3-5-8-15)9-13-19(14-10-17)12-6-11-18/h3-5,7-8H,2,6,9-10,12-14H2,1H3

InChIKey

GLLYOSSOZQFJJJ-UHFFFAOYSA-N

Compound name

ethyl 1-(2-cyanoethyl)-4-phenylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 286.16812 Da
Monoisotopic Mass: 2.1
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]+	287.17540	167.7
[M+Na]+	309.15734	174.7
[M-H]-	285.16084	170.8
[M+NH4]+	304.20194	181.8
[M+K]+	325.13128	169.3
[M+H-H2O]+	269.16538	153.1
[M+HCOO]-	331.16632	182.1
[M+CH3COO]-	345.18197	210.2
[M+Na-2H]-	307.14279	170.3
[M]+	286.16757	161.2
[M]-	286.16867	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe