CID 64924421

1-phenyl-3-(propan-2-yl)piperazine

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

CC(C)C1CN(CCN1)C2=CC=CC=C2

InChI

InChI=1S/C13H20N2/c1-11(2)13-10-15(9-8-14-13)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3

InChIKey

PAGHICNGHPHTLW-UHFFFAOYSA-N

Compound name

1-phenyl-3-propan-2-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.16264 Da
Monoisotopic Mass: 2.8
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]+	205.16992	150.1
[M+Na]+	227.15186	162.5
[M+NH4]+	222.19646	158.6
[M+K]+	243.12580	155.3
[M-H]-	203.15536	153.3
[M+Na-2H]-	225.13731	157.3
[M]+	204.16209	152.7
[M]-	204.16319	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe