CID 17750461

(s)-1-benzyl-3-ethylpiperazine

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

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

InChI

InChI=1S/C13H20N2/c1-2-13-11-15(9-8-14-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-/m0/s1

InChIKey

CTPKPBTULPZITK-ZDUSSCGKSA-N

Compound name

(3S)-1-benzyl-3-ethylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 204.16264 Da
Monoisotopic Mass: 2.1
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	150.2
[M+Na]+	227.15186	163.1
[M+NH4]+	222.19646	158.9
[M+K]+	243.12580	155.0
[M-H]-	203.15536	153.7
[M+Na-2H]-	225.13731	157.8
[M]+	204.16209	153.0
[M]-	204.16319	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe