CID 2757263

722491-43-2

Structural Information

Molecular Formula

C₁₀H₂₁ClN₂

SMILES

CCC(C)N1CCN(CC1)CCCl

InChI

InChI=1S/C10H21ClN2/c1-3-10(2)13-8-6-12(5-4-11)7-9-13/h10H,3-9H2,1-2H3

InChIKey

HUPOEGRZAFSFJU-UHFFFAOYSA-N

Compound name

1-butan-2-yl-4-(2-chloroethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 204.13933 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]+	205.14661	148.8
[M+Na]+	227.12855	154.0
[M-H]-	203.13205	148.1
[M+NH4]+	222.17315	166.0
[M+K]+	243.10249	151.0
[M+H-H2O]+	187.13659	141.7
[M+HCOO]-	249.13753	160.3
[M+CH3COO]-	263.15318	186.7
[M+Na-2H]-	225.11400	151.0
[M]+	204.13878	147.2
[M]-	204.13988	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe