CID 66042262

3-(bromomethyl)-3-ethyloxane

Structural Information

Molecular Formula
C8H15BrO
SMILES
CCC1(CCCOC1)CBr
InChI
InChI=1S/C8H15BrO/c1-2-8(6-9)4-3-5-10-7-8/h2-7H2,1H3
InChIKey
FWJAOQLLPYDBQA-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-ethyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03062 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03790 139.1
[M+Na]+ 229.01984 148.1
[M-H]- 205.02334 145.3
[M+NH4]+ 224.06444 162.2
[M+K]+ 244.99378 139.8
[M+H-H2O]+ 189.02788 140.5
[M+HCOO]- 251.02882 156.8
[M+CH3COO]- 265.04447 181.6
[M+Na-2H]- 227.00529 147.8
[M]+ 206.03007 155.6
[M]- 206.03117 155.6
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.