CID 7164645

{3-[(piperidin-1-yl)methyl]phenyl}methanol

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

C1CCN(CC1)CC2=CC(=CC=C2)CO

InChI

InChI=1S/C13H19NO/c15-11-13-6-4-5-12(9-13)10-14-7-2-1-3-8-14/h4-6,9,15H,1-3,7-8,10-11H2

InChIKey

NZKXLHGCZWDXGE-UHFFFAOYSA-N

Compound name

[3-(piperidin-1-ylmethyl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 205.14667 Da
Monoisotopic Mass: 1.7
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]+	206.153946	148.0
[M+Na]+	228.135888	152.4
[M-H]-	204.139394	150.8
[M+NH4]+	223.180493	164.6
[M+K]+	244.109828	148.9
[M+H-H2O]+	188.143930	140.2
[M+HCOO]-	250.144871	165.8
[M+CH3COO]-	264.160521	183.2
[M+Na-2H]-	226.121336	152.4
[M]+	205.14612142	142.8
[M]-	205.14721858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe