CID 170914444

Methyl 1-(2-bromoacetyl)cyclobutane-1-carboxylate

Structural Information

Molecular Formula
C8H11BrO3
SMILES
COC(=O)C1(CCC1)C(=O)CBr
InChI
InChI=1S/C8H11BrO3/c1-12-7(11)8(3-2-4-8)6(10)5-9/h2-5H2,1H3
InChIKey
ICCBIKHTSOQSOX-UHFFFAOYSA-N
Compound name
methyl 1-(2-bromoacetyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.98917 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.996446 136.1
[M+Na]+ 256.978388 144.8
[M-H]- 232.981894 142.1
[M+NH4]+ 252.022993 153.0
[M+K]+ 272.952328 138.9
[M+H-H2O]+ 216.986430 133.1
[M+HCOO]- 278.987371 154.5
[M+CH3COO]- 293.003021 189.4
[M+Na-2H]- 254.963836 142.2
[M]+ 233.98862142 163.1
[M]- 233.98971858 163.1
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.