CID 85697701

1-(bromomethyl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H11BrO2
SMILES
C1CCC(C1)(CBr)C(=O)O
InChI
InChI=1S/C7H11BrO2/c8-5-7(6(9)10)3-1-2-4-7/h1-5H2,(H,9,10)
InChIKey
YUGJOYVMDZHNLJ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

205.99425 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00153 143.3
[M+Na]+ 228.98347 142.9
[M+NH4]+ 224.02807 148.8
[M+K]+ 244.95741 143.9
[M-H]- 204.98697 142.0
[M+Na-2H]- 226.96892 144.7
[M]+ 205.99370 141.5
[M]- 205.99480 141.5
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

patents stripe