CID 16786116

887580-27-0

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

C1CN(CCC1O)CC2=CC=CC=C2CN

InChI

InChI=1S/C13H20N2O/c14-9-11-3-1-2-4-12(11)10-15-7-5-13(16)6-8-15/h1-4,13,16H,5-10,14H2

InChIKey

HTFVKXJKSSRXQI-UHFFFAOYSA-N

Compound name

1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.15756 Da
Monoisotopic Mass: 0.5
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]+	221.16484	152.1
[M+Na]+	243.14678	156.6
[M-H]-	219.15028	154.8
[M+NH4]+	238.19138	167.8
[M+K]+	259.12072	152.6
[M+H-H2O]+	203.15482	144.2
[M+HCOO]-	265.15576	170.3
[M+CH3COO]-	279.17141	188.7
[M+Na-2H]-	241.13223	155.2
[M]+	220.15701	145.7
[M]-	220.15811	145.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.