CID 59789842

51420-30-5

Structural Information

Molecular Formula

C₁₂H₁₅ClN₂O

SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)C=O)Cl

InChI

InChI=1S/C12H15ClN2O/c1-14-4-6-15(7-5-14)11-3-2-10(9-16)12(13)8-11/h2-3,8-9H,4-7H2,1H3

InChIKey

JHKAOEWIJKITLH-UHFFFAOYSA-N

Compound name

2-chloro-4-(4-methylpiperazin-1-yl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 238.0873 Da
Monoisotopic Mass: 1.9
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]+	239.09458	152.7
[M+Na]+	261.07652	160.9
[M-H]-	237.08002	156.1
[M+NH4]+	256.12112	168.6
[M+K]+	277.05046	155.9
[M+H-H2O]+	221.08456	144.6
[M+HCOO]-	283.08550	166.4
[M+CH3COO]-	297.10115	190.7
[M+Na-2H]-	259.06197	156.1
[M]+	238.08675	151.6
[M]-	238.08785	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe