CID 165910396

1-(3-bromoazetidin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C5H8BrNO
SMILES
CC(=O)N1CC(C1)Br
InChI
InChI=1S/C5H8BrNO/c1-4(8)7-2-5(6)3-7/h5H,2-3H2,1H3
InChIKey
CWIAHFRDHUMENL-UHFFFAOYSA-N
Compound name
1-(3-bromoazetidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.97893 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.986206 120.6
[M+Na]+ 199.968148 131.1
[M-H]- 175.971654 125.8
[M+NH4]+ 195.012753 137.2
[M+K]+ 215.942088 124.9
[M+H-H2O]+ 159.976190 116.5
[M+HCOO]- 221.977131 139.3
[M+CH3COO]- 235.992781 181.4
[M+Na-2H]- 197.953596 127.9
[M]+ 176.97838142 145.7
[M]- 176.97947858 145.7
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

No patent data available for this compound.