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]+ 191.006606 136.8
[M+Na]+ 212.988548 151.1
[M-H]- 188.992054 145.6
[M+NH4]+ 208.033153 158.9
[M+K]+ 228.962488 142.2
[M+H-H2O]+ 172.996590 138.4
[M+HCOO]- 234.997531 156.1
[M+CH3COO]- 249.013181 183.0
[M+Na-2H]- 210.973996 145.7
[M]+ 189.99878142 158.0
[M]- 189.99987858 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.