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]+ 177.98621 120.6
[M+Na]+ 199.96815 131.1
[M-H]- 175.97165 125.8
[M+NH4]+ 195.01275 137.2
[M+K]+ 215.94209 124.9
[M+H-H2O]+ 159.97619 116.5
[M+HCOO]- 221.97713 139.3
[M+CH3COO]- 235.99278 181.4
[M+Na-2H]- 197.95360 127.9
[M]+ 176.97838 145.7
[M]- 176.97948 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.