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]+ 205.02226 137.8
[M+Na]+ 227.00420 135.9
[M+NH4]+ 222.04880 140.6
[M+K]+ 242.97814 136.5
[M-H]- 203.00770 135.3
[M+Na-2H]- 224.98965 138.7
[M]+ 204.01443 134.7
[M]- 204.01553 134.7
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.