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]+ 223.03282 145.1
[M+Na]+ 245.01476 154.9
[M-H]- 221.01826 151.5
[M+NH4]+ 240.05936 169.2
[M+K]+ 260.98870 147.1
[M+H-H2O]+ 205.02280 146.6
[M+HCOO]- 267.02374 164.0
[M+CH3COO]- 281.03939 184.0
[M+Na-2H]- 243.00021 151.3
[M]+ 222.02499 164.2
[M]- 222.02609 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.