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 136.5
[M+Na]+ 212.98855 149.0
[M-H]- 188.99205 144.9
[M+NH4]+ 208.03315 155.1
[M+K]+ 228.96249 139.9
[M+H-H2O]+ 172.99659 136.5
[M+HCOO]- 234.99753 154.4
[M+CH3COO]- 249.01318 183.6
[M+Na-2H]- 210.97400 145.6
[M]+ 189.99878 155.4
[M]- 189.99988 155.4
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.