CID 2735754

99857-72-4

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O

SMILES

COC1=C(C=C(C=C1)Cl)N2CCNCC2

InChI

InChI=1S/C11H15ClN2O/c1-15-11-3-2-9(12)8-10(11)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3

InChIKey

FCZBQMUDGBEIHG-UHFFFAOYSA-N

Compound name

1-(5-chloro-2-methoxyphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 212
Patents: 226.0873 Da
Monoisotopic Mass: 2.0
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]+	227.094576	149.6
[M+Na]+	249.076518	156.5
[M-H]-	225.080024	151.3
[M+NH4]+	244.121123	165.0
[M+K]+	265.050458	151.5
[M+H-H2O]+	209.084560	141.7
[M+HCOO]-	271.085501	162.0
[M+CH3COO]-	285.101151	184.9
[M+Na-2H]-	247.061966	153.8
[M]+	226.08675142	146.6
[M]-	226.08784858	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe