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

87
Patents

191.97859 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98587 135.8
[M+Na]+ 214.96781 146.2
[M-H]- 190.97131 140.7
[M+NH4]+ 210.01241 161.4
[M+K]+ 230.94175 136.5
[M+H-H2O]+ 174.97585 137.7
[M+HCOO]- 236.97679 154.9
[M+CH3COO]- 250.99244 175.1
[M+Na-2H]- 212.95326 141.7
[M]+ 191.97804 151.2
[M]- 191.97914 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