CID 12641853

64951-39-9

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

CN(C1CCNCC1)C(=O)C2=CC=CC=C2

InChI

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

InChIKey

QJIVZURLHLXUMO-UHFFFAOYSA-N

Compound name

N-methyl-N-piperidin-4-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 218.1419 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]+	219.14918	150.7
[M+Na]+	241.13112	153.5
[M-H]-	217.13462	154.7
[M+NH4]+	236.17572	166.6
[M+K]+	257.10506	151.2
[M+H-H2O]+	201.13916	142.3
[M+HCOO]-	263.14010	169.2
[M+CH3COO]-	277.15575	189.8
[M+Na-2H]-	239.11657	154.4
[M]+	218.14135	144.3
[M]-	218.14245	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe