CID 64834125

1267896-88-7

Structural Information

Molecular Formula

C₁₄H₂₂N₂

SMILES

CC(C)C1CNCCN1CC2=CC=CC=C2

InChI

InChI=1S/C14H22N2/c1-12(2)14-10-15-8-9-16(14)11-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3

InChIKey

YXLPJNMJKHDTFJ-UHFFFAOYSA-N

Compound name

1-benzyl-2-propan-2-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.1783 Da
Monoisotopic Mass: 2.5
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]+	219.185576	154.2
[M+Na]+	241.167518	158.0
[M-H]-	217.171024	155.4
[M+NH4]+	236.212123	168.8
[M+K]+	257.141458	153.9
[M+H-H2O]+	201.175560	145.4
[M+HCOO]-	263.176501	169.0
[M+CH3COO]-	277.192151	187.8
[M+Na-2H]-	239.152966	156.9
[M]+	218.17775142	147.8
[M]-	218.17884858	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe