CID 2794678

1431965-80-8

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

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

InChI

InChI=1S/C13H20N2/c14-10-12-5-4-6-13(9-12)11-15-7-2-1-3-8-15/h4-6,9H,1-3,7-8,10-11,14H2

InChIKey

BMNFPARGJHNMAX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 204.16264 Da
Monoisotopic Mass: 1.5
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]+	205.16992	148.3
[M+Na]+	227.15186	152.4
[M-H]-	203.15536	152.0
[M+NH4]+	222.19646	165.1
[M+K]+	243.12580	148.7
[M+H-H2O]+	187.15990	140.1
[M+HCOO]-	249.16084	167.8
[M+CH3COO]-	263.17649	187.9
[M+Na-2H]-	225.13731	152.6
[M]+	204.16209	141.9
[M]-	204.16319	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe