CID 130531515

1-[3-(bromomethyl)azetidin-1-yl]ethan-1-one

Structural Information

Molecular Formula
C6H10BrNO
SMILES
CC(=O)N1CC(C1)CBr
InChI
InChI=1S/C6H10BrNO/c1-5(9)8-3-6(2-7)4-8/h6H,2-4H2,1H3
InChIKey
FXRQWJMRGNKJID-UHFFFAOYSA-N
Compound name
1-[3-(bromomethyl)azetidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.99458 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.00186 132.7
[M+Na]+ 213.98380 130.9
[M+NH4]+ 209.02840 133.8
[M+K]+ 229.95774 133.4
[M-H]- 189.98730 129.5
[M+Na-2H]- 211.96925 132.4
[M]+ 190.99403 129.2
[M]- 190.99513 129.2
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.