CID 137942287

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

Structural Information

Molecular Formula
C7H11BrO
SMILES
CC1(CC2C(C1)O2)CBr
InChI
InChI=1S/C7H11BrO/c1-7(4-8)2-5-6(3-7)9-5/h5-6H,2-4H2,1H3
InChIKey
GRDFOGVJQFAVHX-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-methyl-6-oxabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.99933 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 136.8
[M+Na]+ 212.98855 151.1
[M-H]- 188.99205 145.6
[M+NH4]+ 208.03315 158.9
[M+K]+ 228.96249 142.2
[M+H-H2O]+ 172.99659 138.4
[M+HCOO]- 234.99753 156.1
[M+CH3COO]- 249.01318 183.0
[M+Na-2H]- 210.97400 145.7
[M]+ 189.99878 158.0
[M]- 189.99988 158.0
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.