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]+ 219.001526 128.5
[M+Na]+ 240.983468 138.5
[M-H]- 216.986974 137.4
[M+NH4]+ 236.028073 147.3
[M+K]+ 256.957408 132.7
[M+H-H2O]+ 200.991510 126.7
[M+HCOO]- 262.992451 147.3
[M+CH3COO]- 277.008101 185.3
[M+Na-2H]- 238.968916 136.5
[M]+ 217.99370142 153.7
[M]- 217.99479858 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.