CID 84778684

1783870-08-5

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

C1CNCCC1CC2=CC=CC=C2CO

InChI

InChI=1S/C13H19NO/c15-10-13-4-2-1-3-12(13)9-11-5-7-14-8-6-11/h1-4,11,14-15H,5-10H2

InChIKey

RKIBLNHEPZSCFA-UHFFFAOYSA-N

Compound name

[2-(piperidin-4-ylmethyl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.14667 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]+	206.15395	148.4
[M+Na]+	228.13589	152.4
[M-H]-	204.13939	149.9
[M+NH4]+	223.18049	164.3
[M+K]+	244.10983	148.0
[M+H-H2O]+	188.14393	141.0
[M+HCOO]-	250.14487	164.7
[M+CH3COO]-	264.16052	180.7
[M+Na-2H]-	226.12134	152.4
[M]+	205.14612	141.4
[M]-	205.14722	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe