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 135.4
[M+Na]+ 230.96273 144.5
[M-H]- 206.96623 140.5
[M+NH4]+ 226.00733 157.3
[M+K]+ 246.93667 136.4
[M+H-H2O]+ 190.97077 137.0
[M+HCOO]- 252.97171 151.8
[M+CH3COO]- 266.98736 177.3
[M+Na-2H]- 228.94818 143.5
[M]+ 207.97296 150.9
[M]- 207.97406 150.9
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