CID 165677755

2-(bromomethyl)-1-oxaspiro[4.5]decan-8-one

Structural Information

Molecular Formula
C10H15BrO2
SMILES
C1CC2(CCC(=O)CC2)OC1CBr
InChI
InChI=1S/C10H15BrO2/c11-7-9-3-6-10(13-9)4-1-8(12)2-5-10/h9H,1-7H2
InChIKey
UKJRKFOHFFUFLQ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-oxaspiro[4.5]decan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.02554 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03282 151.2
[M+Na]+ 269.01476 160.5
[M-H]- 245.01826 159.3
[M+NH4]+ 264.05936 174.6
[M+K]+ 284.98870 151.4
[M+H-H2O]+ 229.02280 152.5
[M+HCOO]- 291.02374 167.9
[M+CH3COO]- 305.03939 186.2
[M+Na-2H]- 267.00021 156.5
[M]+ 246.02499 165.7
[M]- 246.02609 165.7
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.