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

0
Patents

206.03062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03790 140.3
[M+Na]+ 229.01984 151.4
[M-H]- 205.02334 147.1
[M+NH4]+ 224.06444 165.5
[M+K]+ 244.99378 142.7
[M+H-H2O]+ 189.02788 142.2
[M+HCOO]- 251.02882 160.0
[M+CH3COO]- 265.04447 182.5
[M+Na-2H]- 227.00529 147.2
[M]+ 206.03007 159.0
[M]- 206.03117 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

No patent data available for this compound.