CID 138040432

3-(bromomethyl)-3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C8H13BrO2
SMILES
COCC1(CC2C(C1)O2)CBr
InChI
InChI=1S/C8H13BrO2/c1-10-5-8(4-9)2-6-7(3-8)11-6/h6-7H,2-5H2,1H3
InChIKey
WYYNFXOJJIMARH-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.00989 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01717 144.3
[M+Na]+ 242.99911 158.1
[M-H]- 219.00261 152.9
[M+NH4]+ 238.04371 165.2
[M+K]+ 258.97305 149.2
[M+H-H2O]+ 203.00715 145.7
[M+HCOO]- 265.00809 163.4
[M+CH3COO]- 279.02374 187.4
[M+Na-2H]- 240.98456 152.7
[M]+ 220.00934 167.2
[M]- 220.01044 167.2
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.