CID 942439

401589-03-5

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

CC1CCN(CC1)C(=O)C2=CC=CC=C2N

InChI

InChI=1S/C13H18N2O/c1-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14/h2-5,10H,6-9,14H2,1H3

InChIKey

NEWJUESKKWKYOU-UHFFFAOYSA-N

Compound name

(2-aminophenyl)-(4-methylpiperidin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.1419 Da
Monoisotopic Mass: 2.5
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]+	219.14918	151.2
[M+Na]+	241.13112	156.3
[M-H]-	217.13462	155.5
[M+NH4]+	236.17572	167.6
[M+K]+	257.10506	153.1
[M+H-H2O]+	201.13916	143.3
[M+HCOO]-	263.14010	170.1
[M+CH3COO]-	277.15575	190.6
[M+Na-2H]-	239.11657	153.5
[M]+	218.14135	145.3
[M]-	218.14245	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe