CID 11790268

186651-01-4

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

C1CC(CN(C1)C2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C12H14N2O/c13-8-10-3-5-11(6-4-10)14-7-1-2-12(15)9-14/h3-6,12,15H,1-2,7,9H2

InChIKey

SNVGETHPJOYMHG-UHFFFAOYSA-N

Compound name

4-(3-hydroxypiperidin-1-yl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 202.11061 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]+	203.11789	145.0
[M+Na]+	225.09983	153.3
[M-H]-	201.10333	147.5
[M+NH4]+	220.14443	160.1
[M+K]+	241.07377	148.2
[M+H-H2O]+	185.10787	131.3
[M+HCOO]-	247.10881	160.0
[M+CH3COO]-	261.12446	194.6
[M+Na-2H]-	223.08528	149.0
[M]+	202.11006	135.3
[M]-	202.11116	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe