CID 595673

43091-72-1

Structural Information

Molecular Formula

C₁₃H₁₉ClN₂O

SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCl

InChI

InChI=1S/C13H19ClN2O/c1-17-13-5-3-2-4-12(13)16-10-8-15(7-6-14)9-11-16/h2-5H,6-11H2,1H3

InChIKey

MUSOMUXTQGJZKD-UHFFFAOYSA-N

Compound name

1-(2-chloroethyl)-4-(2-methoxyphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 174
Patents: 254.11859 Da
Monoisotopic Mass: 2.4
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]+	255.12587	158.2
[M+Na]+	277.10781	164.7
[M-H]-	253.11131	160.9
[M+NH4]+	272.15241	173.2
[M+K]+	293.08175	160.1
[M+H-H2O]+	237.11585	149.5
[M+HCOO]-	299.11679	171.4
[M+CH3COO]-	313.13244	193.4
[M+Na-2H]-	275.09326	161.8
[M]+	254.11804	157.7
[M]-	254.11914	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe