CID 17750348

4981-85-5

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

C1CN(CCN1)CCOCC2=CC=CC=C2

InChI

InChI=1S/C13H20N2O/c1-2-4-13(5-3-1)12-16-11-10-15-8-6-14-7-9-15/h1-5,14H,6-12H2

InChIKey

GMPKQJAYGPIGIX-UHFFFAOYSA-N

Compound name

1-(2-phenylmethoxyethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 220.15756 Da
Monoisotopic Mass: 1.0
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]+	221.16484	152.4
[M+Na]+	243.14678	155.8
[M-H]-	219.15028	153.2
[M+NH4]+	238.19138	166.5
[M+K]+	259.12072	152.0
[M+H-H2O]+	203.15482	143.2
[M+HCOO]-	265.15576	168.8
[M+CH3COO]-	279.17141	184.8
[M+Na-2H]-	241.13223	157.5
[M]+	220.15701	147.3
[M]-	220.15811	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe