CID 118010300

2-bromo-1-cyclobutylpropan-1-one

Structural Information

Molecular Formula
C7H11BrO
SMILES
CC(C(=O)C1CCC1)Br
InChI
InChI=1S/C7H11BrO/c1-5(8)7(9)6-3-2-4-6/h5-6H,2-4H2,1H3
InChIKey
XPFRRNUECDZICA-UHFFFAOYSA-N
Compound name
2-bromo-1-cyclobutylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

189.99933 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 132.4
[M+Na]+ 212.98855 130.0
[M+NH4]+ 208.03315 134.0
[M+K]+ 228.96249 132.8
[M-H]- 188.99205 129.7
[M+Na-2H]- 210.97400 132.2
[M]+ 189.99878 129.0
[M]- 189.99988 129.0
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