CID 127263901

54580-09-5

Structural Information

Molecular Formula
C6H9BrO2
SMILES
C1CC(C1)(CBr)C(=O)O
InChI
InChI=1S/C6H9BrO2/c7-4-6(5(8)9)2-1-3-6/h1-4H2,(H,8,9)
InChIKey
CZDIADMOHJUZSH-UHFFFAOYSA-N
Compound name
1-(bromomethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.97859 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98587 134.4
[M+Na]+ 214.96781 131.6
[M+NH4]+ 210.01241 136.6
[M+K]+ 230.94175 133.1
[M-H]- 190.97131 131.0
[M+Na-2H]- 212.95326 134.9
[M]+ 191.97804 130.8
[M]- 191.97914 130.8
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