CID 130583089

2-(bromomethyl)-2,5,5-trimethyloxolane

Structural Information

Molecular Formula
C8H15BrO
SMILES
CC1(CCC(O1)(C)CBr)C
InChI
InChI=1S/C8H15BrO/c1-7(2)4-5-8(3,6-9)10-7/h4-6H2,1-3H3
InChIKey
AOQWIRUJPYYHCV-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-2,5,5-trimethyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03062 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03790 136.5
[M+Na]+ 229.01984 148.4
[M-H]- 205.02334 143.6
[M+NH4]+ 224.06444 163.5
[M+K]+ 244.99378 139.9
[M+H-H2O]+ 189.02788 139.5
[M+HCOO]- 251.02882 156.2
[M+CH3COO]- 265.04447 182.3
[M+Na-2H]- 227.00529 144.8
[M]+ 206.03007 155.7
[M]- 206.03117 155.7
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.