CID 225468

1-(4-nitrobenzoyl)piperidine

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O3/c15-12(13-8-2-1-3-9-13)10-4-6-11(7-5-10)14(16)17/h4-7H,1-3,8-9H2

InChIKey

CAKBAYWOHIUVHR-UHFFFAOYSA-N

Compound name

(4-nitrophenyl)-piperidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 83
Patents: 234.10045 Da
Monoisotopic Mass: 2.1
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]+	235.107726	151.1
[M+Na]+	257.089668	154.8
[M-H]-	233.093174	155.5
[M+NH4]+	252.134273	165.9
[M+K]+	273.063608	148.7
[M+H-H2O]+	217.097710	147.5
[M+HCOO]-	279.098651	171.0
[M+CH3COO]-	293.114301	183.4
[M+Na-2H]-	255.075116	156.5
[M]+	234.09990142	144.8
[M]-	234.10099858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe