CID 139621481

2445786-23-0

Structural Information

Molecular Formula
C7H9BrO4
SMILES
CCOC(=O)C1(CC1C(=O)O)Br
InChI
InChI=1S/C7H9BrO4/c1-2-12-6(11)7(8)3-4(7)5(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKey
KLLNOZASJQRTNT-UHFFFAOYSA-N
Compound name
2-bromo-2-ethoxycarbonylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.96841 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.97569 141.2
[M+Na]+ 258.95763 154.2
[M-H]- 234.96113 147.5
[M+NH4]+ 254.00223 159.2
[M+K]+ 274.93157 143.9
[M+H-H2O]+ 218.96567 142.4
[M+HCOO]- 280.96661 160.0
[M+CH3COO]- 294.98226 187.5
[M+Na-2H]- 256.94308 147.0
[M]+ 235.96786 163.5
[M]- 235.96896 163.5
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.