CID 1519117

1-acetyl-4-(2-bromoethyl)piperazine 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 145.0
[M+Na]+ 257.02599 154.1
[M-H]- 233.02949 147.8
[M+NH4]+ 252.07059 163.9
[M+K]+ 272.99993 144.1
[M+H-H2O]+ 217.03403 144.1
[M+HCOO]- 279.03497 160.3
[M+CH3COO]- 293.05062 187.5
[M+Na-2H]- 255.01144 150.1
[M]+ 234.03622 160.6
[M]- 234.03732 160.6
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