CID 80189

6094-60-6

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

C1CN(CCC1(C#N)O)CC2=CC=CC=C2

InChI

InChI=1S/C13H16N2O/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12/h1-5,16H,6-10H2

InChIKey

XQRLXUYZKZXSBN-UHFFFAOYSA-N

Compound name

1-benzyl-4-hydroxypiperidine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 236
Patents: 216.12627 Da
Monoisotopic Mass: 1.2
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]+	217.13355	150.0
[M+Na]+	239.11549	158.3
[M-H]-	215.11899	152.6
[M+NH4]+	234.16009	166.2
[M+K]+	255.08943	152.5
[M+H-H2O]+	199.12353	136.4
[M+HCOO]-	261.12447	164.8
[M+CH3COO]-	275.14012	195.9
[M+Na-2H]-	237.10094	155.1
[M]+	216.12572	140.6
[M]-	216.12682	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe