CID 3057394

74037-97-1

Structural Information

Molecular Formula

C₁₅H₂₄N₂

SMILES

CCCC(C1=CC=CC=C1)N2CCN(CC2)C

InChI

InChI=1S/C15H24N2/c1-3-7-15(14-8-5-4-6-9-14)17-12-10-16(2)11-13-17/h4-6,8-9,15H,3,7,10-13H2,1-2H3

InChIKey

VZJFAKROWYGDON-UHFFFAOYSA-N

Compound name

1-methyl-4-(1-phenylbutyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 232.19395 Da
Monoisotopic Mass: 2.9
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]+	233.20123	158.5
[M+Na]+	255.18317	171.2
[M+NH4]+	250.22777	167.1
[M+K]+	271.15711	163.2
[M-H]-	231.18667	162.2
[M+Na-2H]-	253.16862	165.8
[M]+	232.19340	161.4
[M]-	232.19450	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe