CID 20613907

4-[4-(2-methylpropyl)benzoyl]piperidine hydrochloride

Structural Information

Molecular Formula

C₁₆H₂₃NO

SMILES

CC(C)CC1=CC=C(C=C1)C(=O)C2CCNCC2

InChI

InChI=1S/C16H23NO/c1-12(2)11-13-3-5-14(6-4-13)16(18)15-7-9-17-10-8-15/h3-6,12,15,17H,7-11H2,1-2H3

InChIKey

IIHGWCLNSSKUHG-UHFFFAOYSA-N

Compound name

[4-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 245.17796 Da
Monoisotopic Mass: 3.2
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]+	246.185236	160.5
[M+Na]+	268.167178	163.3
[M-H]-	244.170684	163.0
[M+NH4]+	263.211783	175.2
[M+K]+	284.141118	159.5
[M+H-H2O]+	228.175220	152.5
[M+HCOO]-	290.176161	175.4
[M+CH3COO]-	304.191811	193.1
[M+Na-2H]-	266.152626	160.9
[M]+	245.17741142	154.4
[M]-	245.17850858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe