CID 165431058

2-bromo-1-(3,3-dimethylcyclobutyl)ethan-1-one

Structural Information

Molecular Formula
C8H13BrO
SMILES
CC1(CC(C1)C(=O)CBr)C
InChI
InChI=1S/C8H13BrO/c1-8(2)3-6(4-8)7(10)5-9/h6H,3-5H2,1-2H3
InChIKey
ODBPZPYKPXHNJF-UHFFFAOYSA-N
Compound name
2-bromo-1-(3,3-dimethylcyclobutyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01498 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.022256 130.5
[M+Na]+ 227.004198 140.5
[M-H]- 203.007704 137.0
[M+NH4]+ 222.048803 149.1
[M+K]+ 242.978138 133.6
[M+H-H2O]+ 187.012240 128.2
[M+HCOO]- 249.013181 149.3
[M+CH3COO]- 263.028831 187.5
[M+Na-2H]- 224.989646 137.2
[M]+ 204.01443142 156.6
[M]- 204.01552858 156.6
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.