CID 19844056

1423029-56-4

Structural Information

Molecular Formula

C₇H₁₃BrN₂O

SMILES

CN1CCN(CC1)C(=O)CBr

InChI

InChI=1S/C7H13BrN2O/c1-9-2-4-10(5-3-9)7(11)6-8/h2-6H2,1H3

InChIKey

DIAFTBFWJHPDIW-UHFFFAOYSA-N

Compound name

2-bromo-1-(4-methylpiperazin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 220.02113 Da
Monoisotopic Mass: 0.3
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]+	221.02841	141.6
[M+Na]+	243.01035	143.0
[M+NH4]+	238.05495	145.6
[M+K]+	258.98429	143.8
[M-H]-	219.01385	140.5
[M+Na-2H]-	240.99580	142.9
[M]+	220.02058	140.0
[M]-	220.02168	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe