CID 17750088

N-bromoacetylazetidine

Structural Information

Molecular Formula
C5H8BrNO
SMILES
C1CN(C1)C(=O)CBr
InChI
InChI=1S/C5H8BrNO/c6-4-5(8)7-2-1-3-7/h1-4H2
InChIKey
BWFNEFMRNYTXQG-UHFFFAOYSA-N
Compound name
1-(azetidin-1-yl)-2-bromoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

176.97893 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.98621 120.9
[M+Na]+ 199.96815 130.5
[M-H]- 175.97165 125.7
[M+NH4]+ 195.01275 137.2
[M+K]+ 215.94209 124.4
[M+H-H2O]+ 159.97619 116.6
[M+HCOO]- 221.97713 139.6
[M+CH3COO]- 235.99278 180.4
[M+Na-2H]- 197.95360 128.9
[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

literature stripe

Patent stripe

patents stripe