CID 146155536

1-(bromomethyl)-2-oxabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C7H11BrO
SMILES
C1CC2(CC1CO2)CBr
InChI
InChI=1S/C7H11BrO/c8-5-7-2-1-6(3-7)4-9-7/h6H,1-5H2
InChIKey
CDZJTTXNJVQYRP-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-oxabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 139.7
[M+Na]+ 212.98855 151.2
[M-H]- 188.99205 145.9
[M+NH4]+ 208.03315 168.3
[M+K]+ 228.96249 142.7
[M+H-H2O]+ 172.99659 142.4
[M+HCOO]- 234.99753 158.8
[M+CH3COO]- 249.01318 155.6
[M+Na-2H]- 210.97400 147.6
[M]+ 189.99878 157.6
[M]- 189.99988 157.6
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.