CID 1519117

1-(4-(2-bromoethyl)piperazin-1-yl)ethanone hydrobromide

Structural Information

Molecular Formula
C8H15BrN2O
SMILES
CC(=O)N1CCN(CC1)CCBr
InChI
InChI=1S/C8H15BrN2O/c1-8(12)11-6-4-10(3-2-9)5-7-11/h2-7H2,1H3
InChIKey
WHFIZTSWOHSAJR-UHFFFAOYSA-N
Compound name
1-[4-(2-bromoethyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

234.03677 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.04405 146.0
[M+Na]+ 257.02599 147.3
[M+NH4]+ 252.07059 149.9
[M+K]+ 272.99993 147.8
[M-H]- 233.02949 144.9
[M+Na-2H]- 255.01144 147.1
[M]+ 234.03622 144.4
[M]- 234.03732 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe