CID 121552636

2-(bromomethyl)-7-oxabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C7H11BrO
SMILES
C1CC2C(CC1O2)CBr
InChI
InChI=1S/C7H11BrO/c8-4-5-3-6-1-2-7(5)9-6/h5-7H,1-4H2
InChIKey
UHZMGDQVYYPBQQ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-7-oxabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

189.99933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 141.1
[M+Na]+ 212.98855 152.4
[M-H]- 188.99205 147.2
[M+NH4]+ 208.03315 168.0
[M+K]+ 228.96249 143.9
[M+H-H2O]+ 172.99659 143.2
[M+HCOO]- 234.99753 160.1
[M+CH3COO]- 249.01318 179.5
[M+Na-2H]- 210.97400 147.2
[M]+ 189.99878 158.9
[M]- 189.99988 158.9
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

patents stripe