CID 11264593

20011-14-7

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O

SMILES

C1CN(CCN1C=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C11H13ClN2O/c12-10-2-1-3-11(8-10)14-6-4-13(9-15)5-7-14/h1-3,8-9H,4-7H2

InChIKey

IGIBHEMNRYAZQH-UHFFFAOYSA-N

Compound name

4-(3-chlorophenyl)piperazine-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 224.07164 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]+	225.078916	148.2
[M+Na]+	247.060858	155.8
[M-H]-	223.064364	151.3
[M+NH4]+	242.105463	164.3
[M+K]+	263.034798	151.1
[M+H-H2O]+	207.068900	140.0
[M+HCOO]-	269.069841	162.2
[M+CH3COO]-	283.085491	186.6
[M+Na-2H]-	245.046306	152.8
[M]+	224.07109142	146.3
[M]-	224.07218858	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe