CID 2757625

185547-14-2

Structural Information

Molecular Formula

C₉H₁₇ClN₂O

SMILES

CC(C)N1CCN(CC1)C(=O)CCl

InChI

InChI=1S/C9H17ClN2O/c1-8(2)11-3-5-12(6-4-11)9(13)7-10/h8H,3-7H2,1-2H3

InChIKey

JZUPJKCLAMQCGH-UHFFFAOYSA-N

Compound name

2-chloro-1-(4-propan-2-ylpiperazin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 204.10294 Da
Monoisotopic Mass: 1.0
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]+	205.11022	145.6
[M+Na]+	227.09216	151.4
[M-H]-	203.09566	145.4
[M+NH4]+	222.13676	162.7
[M+K]+	243.06610	148.9
[M+H-H2O]+	187.10020	139.0
[M+HCOO]-	249.10114	157.0
[M+CH3COO]-	263.11679	184.9
[M+Na-2H]-	225.07761	147.2
[M]+	204.10239	143.8
[M]-	204.10349	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe