CID 165759493

2-bromo-1-(1-methylcyclobutyl)ethan-1-one

Structural Information

Molecular Formula
C7H11BrO
SMILES
CC1(CCC1)C(=O)CBr
InChI
InChI=1S/C7H11BrO/c1-7(3-2-4-7)6(9)5-8/h2-5H2,1H3
InChIKey
YGPSDQWQSBSNDD-UHFFFAOYSA-N
Compound name
2-bromo-1-(1-methylcyclobutyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 126.7
[M+Na]+ 212.98855 136.3
[M-H]- 188.99205 133.1
[M+NH4]+ 208.03315 145.6
[M+K]+ 228.96249 129.7
[M+H-H2O]+ 172.99659 124.4
[M+HCOO]- 234.99753 145.9
[M+CH3COO]- 249.01318 183.8
[M+Na-2H]- 210.97400 134.6
[M]+ 189.99878 152.2
[M]- 189.99988 152.2
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.