CID 20120443

1016688-66-6

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

C1CCN(CC1)C(=O)C2=CC=CC(=C2)CN

InChI

InChI=1S/C13H18N2O/c14-10-11-5-4-6-12(9-11)13(16)15-7-2-1-3-8-15/h4-6,9H,1-3,7-8,10,14H2

InChIKey

ACUHWQCMQXFLMX-UHFFFAOYSA-N

Compound name

[3-(aminomethyl)phenyl]-piperidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.1419 Da
Monoisotopic Mass: 1.1
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]+	219.149176	151.1
[M+Na]+	241.131118	155.2
[M-H]-	217.134624	154.9
[M+NH4]+	236.175723	167.2
[M+K]+	257.105058	152.0
[M+H-H2O]+	201.139160	142.9
[M+HCOO]-	263.140101	170.1
[M+CH3COO]-	277.155751	189.4
[M+Na-2H]-	239.116566	154.2
[M]+	218.14135142	144.8
[M]-	218.14244858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe