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 128.9
[M+Na]+ 212.98855 137.3
[M-H]- 188.99205 134.8
[M+NH4]+ 208.03315 145.7
[M+K]+ 228.96249 131.1
[M+H-H2O]+ 172.99659 125.0
[M+HCOO]- 234.99753 147.0
[M+CH3COO]- 249.01318 184.9
[M+Na-2H]- 210.97400 134.3
[M]+ 189.99878 153.2
[M]- 189.99988 153.2
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

patents stripe