CID 67389380

2309456-65-1

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1CNCCC1CC2=CC=CC=C2O

InChI

InChI=1S/C12H17NO/c14-12-4-2-1-3-11(12)9-10-5-7-13-8-6-10/h1-4,10,13-14H,5-9H2

InChIKey

DMJHFDPVLPRHKW-UHFFFAOYSA-N

Compound name

2-(piperidin-4-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 191.13101 Da
Monoisotopic Mass: 2.2
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]+	192.138286	144.0
[M+Na]+	214.120228	148.4
[M-H]-	190.123734	145.6
[M+NH4]+	209.164833	160.4
[M+K]+	230.094168	144.2
[M+H-H2O]+	174.128270	136.7
[M+HCOO]-	236.129211	160.6
[M+CH3COO]-	250.144861	177.6
[M+Na-2H]-	212.105676	148.5
[M]+	191.13046142	136.6
[M]-	191.13155858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe