CID 145913154

7-(bromomethyl)-3-oxabicyclo[4.1.0]heptane

Structural Information

Molecular Formula
C7H11BrO
SMILES
C1COCC2C1C2CBr
InChI
InChI=1S/C7H11BrO/c8-3-6-5-1-2-9-4-7(5)6/h5-7H,1-4H2
InChIKey
VTWZDODCSFFQEW-UHFFFAOYSA-N
Compound name
7-(bromomethyl)-3-oxabicyclo[4.1.0]heptane
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]+ 191.00661 124.0
[M+Na]+ 212.98855 128.4
[M+NH4]+ 208.03315 130.9
[M+K]+ 228.96249 129.9
[M-H]- 188.99205 131.9
[M+Na-2H]- 210.97400 128.9
[M]+ 189.99878 126.7
[M]- 189.99988 126.7
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.