CID 132343767

4-(bromomethyl)-1-methyl-2-oxabicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C7H11BrO
SMILES
CC12CC(C1)(CO2)CBr
InChI
InChI=1S/C7H11BrO/c1-6-2-7(3-6,4-8)5-9-6/h2-5H2,1H3
InChIKey
ANTNRIMCLYAMHN-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-methyl-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.99933 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.006606 134.1
[M+Na]+ 212.988548 145.5
[M-H]- 188.992054 139.5
[M+NH4]+ 208.033153 160.5
[M+K]+ 228.962488 139.6
[M+H-H2O]+ 172.996590 135.2
[M+HCOO]- 234.997531 150.9
[M+CH3COO]- 249.013181 150.0
[M+Na-2H]- 210.973996 145.9
[M]+ 189.99878142 164.8
[M]- 189.99987858 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.