CID 167735084

5-(2-bromoethyl)-2,2-dimethyloxolane

Structural Information

Molecular Formula
C8H15BrO
SMILES
CC1(CCC(O1)CCBr)C
InChI
InChI=1S/C8H15BrO/c1-8(2)5-3-7(10-8)4-6-9/h7H,3-6H2,1-2H3
InChIKey
UPSJPRNPWJBPNQ-UHFFFAOYSA-N
Compound name
5-(2-bromoethyl)-2,2-dimethyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.03062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.037896 140.3
[M+Na]+ 229.019838 151.4
[M-H]- 205.023344 147.1
[M+NH4]+ 224.064443 165.5
[M+K]+ 244.993778 142.7
[M+H-H2O]+ 189.027880 142.2
[M+HCOO]- 251.028821 160.0
[M+CH3COO]- 265.044471 182.5
[M+Na-2H]- 227.005286 147.2
[M]+ 206.03007142 159.0
[M]- 206.03116858 159.0
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

patents stripe