CID 2384549

138969-82-1

Structural Information

Molecular Formula

C₇H₁₁ClN₂O₂

SMILES

C1CN(CCN1C=O)C(=O)CCl

InChI

InChI=1S/C7H11ClN2O2/c8-5-7(12)10-3-1-9(6-11)2-4-10/h6H,1-5H2

InChIKey

JNUUHIJMBNNNIV-UHFFFAOYSA-N

Compound name

4-(2-chloroacetyl)piperazine-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.0509 Da
Monoisotopic Mass: -0.4
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]+	191.05818	138.3
[M+Na]+	213.04012	149.4
[M+NH4]+	208.08472	145.5
[M+K]+	229.01406	143.9
[M-H]-	189.04362	137.8
[M+Na-2H]-	211.02557	142.4
[M]+	190.05035	139.7
[M]-	190.05145	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe