CID 17750438

324748-62-1

Structural Information

Molecular Formula

C₁₄H₂₂N₂

SMILES

CC(C)[C@H]1CN(CCN1)CC2=CC=CC=C2

InChI

InChI=1S/C14H22N2/c1-12(2)14-11-16(9-8-15-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t14-/m1/s1

InChIKey

HPOGZEGDXGTDSX-CQSZACIVSA-N

Compound name

(3S)-1-benzyl-3-propan-2-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
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]+	219.18558	154.6
[M+Na]+	241.16752	166.8
[M+NH4]+	236.21212	162.9
[M+K]+	257.14146	159.4
[M-H]-	217.17102	157.8
[M+Na-2H]-	239.15297	161.5
[M]+	218.17775	157.1
[M]-	218.17885	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe