CID 165756870

En300-37082223

Structural Information

Molecular Formula
C7H9BrO
SMILES
C1[C@@H]2C=C[C@H]([C@@H]1CBr)O2
InChI
InChI=1S/C7H9BrO/c8-4-5-3-6-1-2-7(5)9-6/h1-2,5-7H,3-4H2/t5-,6-,7+/m0/s1
InChIKey
QGTMMDGGDRKJIX-LYFYHCNISA-N
Compound name
(1R,4R,5R)-5-(bromomethyl)-7-oxabicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.98367 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99095 138.7
[M+Na]+ 210.97289 151.0
[M-H]- 186.97639 145.2
[M+NH4]+ 206.01749 165.8
[M+K]+ 226.94683 142.4
[M+H-H2O]+ 170.98093 140.9
[M+HCOO]- 232.98187 159.1
[M+CH3COO]- 246.99752 155.0
[M+Na-2H]- 208.95834 145.8
[M]+ 187.98312 157.9
[M]- 187.98422 157.9
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

No patent data available for this compound.