CID 122163190

3-(bromomethyl)-3-(propan-2-yloxy)oxolane

Structural Information

Molecular Formula
C8H15BrO2
SMILES
CC(C)OC1(CCOC1)CBr
InChI
InChI=1S/C8H15BrO2/c1-7(2)11-8(5-9)3-4-10-6-8/h7H,3-6H2,1-2H3
InChIKey
DYLHADPHWQMEEJ-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-propan-2-yloxyoxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.02554 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.032816 145.1
[M+Na]+ 245.014758 154.9
[M-H]- 221.018264 151.5
[M+NH4]+ 240.059363 169.2
[M+K]+ 260.988698 147.1
[M+H-H2O]+ 205.022800 146.6
[M+HCOO]- 267.023741 164.0
[M+CH3COO]- 281.039391 184.0
[M+Na-2H]- 243.000206 151.3
[M]+ 222.02499142 164.2
[M]- 222.02608858 164.2
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.