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]+ 207.037896 136.5
[M+Na]+ 229.019838 148.4
[M-H]- 205.023344 143.6
[M+NH4]+ 224.064443 163.5
[M+K]+ 244.993778 139.9
[M+H-H2O]+ 189.027880 139.5
[M+HCOO]- 251.028821 156.2
[M+CH3COO]- 265.044471 182.3
[M+Na-2H]- 227.005286 144.8
[M]+ 206.03007142 155.7
[M]- 206.03116858 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.