CID 650781

4-(4-methylbenzoyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

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

InChI

InChI=1S/C13H17NO/c1-10-2-4-11(5-3-10)13(15)12-6-8-14-9-7-12/h2-5,12,14H,6-9H2,1H3

InChIKey

REVMVHLEQMHABW-UHFFFAOYSA-N

Compound name

(4-methylphenyl)-piperidin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 126
Patents: 203.13101 Da
Monoisotopic Mass: 2.0
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]+	204.138286	147.0
[M+Na]+	226.120228	151.4
[M-H]-	202.123734	150.0
[M+NH4]+	221.164833	163.5
[M+K]+	242.094168	147.8
[M+H-H2O]+	186.128270	139.4
[M+HCOO]-	248.129211	164.0
[M+CH3COO]-	262.144861	183.2
[M+Na-2H]-	224.105676	150.2
[M]+	203.13046142	140.5
[M]-	203.13155858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe