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

0
Patents

191.97859 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.985866 126.4
[M+Na]+ 214.967808 135.6
[M-H]- 190.971314 131.4
[M+NH4]+ 210.012413 144.3
[M+K]+ 230.941748 128.8
[M+H-H2O]+ 174.975850 123.9
[M+HCOO]- 236.976791 144.5
[M+CH3COO]- 250.992441 180.3
[M+Na-2H]- 212.953256 134.1
[M]+ 191.97804142 151.0
[M]- 191.97913858 151.0
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