CID 13411841

1-bromocyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C6H9BrO2
SMILES
C1CCC(C1)(C(=O)O)Br
InChI
InChI=1S/C6H9BrO2/c7-6(5(8)9)3-1-2-4-6/h1-4H2,(H,8,9)
InChIKey
MUSCLEBGQGXIBI-UHFFFAOYSA-N
Compound name
1-bromocyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

191.97859 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.985866 135.8
[M+Na]+ 214.967808 146.2
[M-H]- 190.971314 140.7
[M+NH4]+ 210.012413 161.4
[M+K]+ 230.941748 136.5
[M+H-H2O]+ 174.975850 137.7
[M+HCOO]- 236.976791 154.9
[M+CH3COO]- 250.992441 175.1
[M+Na-2H]- 212.953256 141.7
[M]+ 191.97804142 151.2
[M]- 191.97913858 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe