CID 3056523

73790-76-8

Structural Information

Molecular Formula

C₁₅H₂₃N

SMILES

CCC(C1=CC=CC=C1)N2CCC(CC2)C

InChI

InChI=1S/C15H23N/c1-3-15(14-7-5-4-6-8-14)16-11-9-13(2)10-12-16/h4-8,13,15H,3,9-12H2,1-2H3

InChIKey

QPECGRDTKGPJPQ-UHFFFAOYSA-N

Compound name

4-methyl-1-(1-phenylpropyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.18304 Da
Monoisotopic Mass: 4.0
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]+	218.190316	153.4
[M+Na]+	240.172258	157.1
[M-H]-	216.175764	157.3
[M+NH4]+	235.216863	170.2
[M+K]+	256.146198	154.0
[M+H-H2O]+	200.180300	145.2
[M+HCOO]-	262.181241	170.8
[M+CH3COO]-	276.196891	190.7
[M+Na-2H]-	238.157706	156.0
[M]+	217.18249142	148.7
[M]-	217.18358858	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe