CID 650781

42060-84-4

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: 147
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]+	204.13829	148.0
[M+Na]+	226.12023	160.3
[M+NH4]+	221.16483	156.5
[M+K]+	242.09417	153.3
[M-H]-	202.12373	151.3
[M+Na-2H]-	224.10568	155.1
[M]+	203.13046	150.6
[M]-	203.13156	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe