CID 137935866

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

Structural Information

Molecular Formula
C6H9BrO
SMILES
C1C2CC1(OC2)CBr
InChI
InChI=1S/C6H9BrO/c7-4-6-1-5(2-6)3-8-6/h5H,1-4H2
InChIKey
DYOOINOBXMHTJP-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.98367 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99095 129.0
[M+Na]+ 198.97289 139.8
[M-H]- 174.97639 134.1
[M+NH4]+ 194.01749 154.1
[M+K]+ 214.94683 134.6
[M+H-H2O]+ 158.98093 129.5
[M+HCOO]- 220.98187 146.2
[M+CH3COO]- 234.99752 145.0
[M+Na-2H]- 196.95834 140.4
[M]+ 175.98312 159.0
[M]- 175.98422 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.