CID 75481171

4-bromooxane-4-carboxylic acid

Structural Information

Molecular Formula
C6H9BrO3
SMILES
C1COCCC1(C(=O)O)Br
InChI
InChI=1S/C6H9BrO3/c7-6(5(8)9)1-3-10-4-2-6/h1-4H2,(H,8,9)
InChIKey
QEOPAXDMQKLKCF-UHFFFAOYSA-N
Compound name
4-bromooxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

207.97351 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.98079 136.0
[M+Na]+ 230.96273 136.9
[M+NH4]+ 226.00733 141.5
[M+K]+ 246.93667 137.4
[M-H]- 206.96623 136.2
[M+Na-2H]- 228.94818 138.3
[M]+ 207.97296 135.0
[M]- 207.97406 135.0
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

patents stripe