CID 28409679

871013-57-9

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

C1CN(CCC1O)C2=CC=C(C=C2)CN

InChI

InChI=1S/C12H18N2O/c13-9-10-1-3-11(4-2-10)14-7-5-12(15)6-8-14/h1-4,12,15H,5-9,13H2

InChIKey

BIIAKXLPAKKIDO-UHFFFAOYSA-N

Compound name

1-[4-(aminomethyl)phenyl]piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 206.1419 Da
Monoisotopic Mass: 0.8
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]+	207.14918	147.7
[M+Na]+	229.13112	152.7
[M-H]-	205.13462	150.5
[M+NH4]+	224.17572	163.9
[M+K]+	245.10506	148.9
[M+H-H2O]+	189.13916	140.0
[M+HCOO]-	251.14010	166.2
[M+CH3COO]-	265.15575	185.6
[M+Na-2H]-	227.11657	151.3
[M]+	206.14135	140.9
[M]-	206.14245	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe