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]+ 221.017166 144.3
[M+Na]+ 242.999108 158.1
[M-H]- 219.002614 152.9
[M+NH4]+ 238.043713 165.2
[M+K]+ 258.973048 149.2
[M+H-H2O]+ 203.007150 145.7
[M+HCOO]- 265.008091 163.4
[M+CH3COO]- 279.023741 187.4
[M+Na-2H]- 240.984556 152.7
[M]+ 220.00934142 167.2
[M]- 220.01043858 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.