CID 86775298

7-(bromomethyl)-6-oxaspiro[3.4]octan-5-one

Structural Information

Molecular Formula
C8H11BrO2
SMILES
C1CC2(C1)CC(OC2=O)CBr
InChI
InChI=1S/C8H11BrO2/c9-5-6-4-8(2-1-3-8)7(10)11-6/h6H,1-5H2
InChIKey
YCJYTTJFZUBJGC-UHFFFAOYSA-N
Compound name
7-(bromomethyl)-6-oxaspiro[3.4]octan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.99425 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00153 128.5
[M+Na]+ 240.98347 138.5
[M-H]- 216.98697 137.4
[M+NH4]+ 236.02807 147.3
[M+K]+ 256.95741 132.7
[M+H-H2O]+ 200.99151 126.7
[M+HCOO]- 262.99245 147.3
[M+CH3COO]- 277.00810 185.3
[M+Na-2H]- 238.96892 136.5
[M]+ 217.99370 153.7
[M]- 217.99480 153.7
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.