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 140.4
[M+Na]+ 228.98347 150.4
[M-H]- 204.98697 145.1
[M+NH4]+ 224.02807 165.4
[M+K]+ 244.95741 140.4
[M+H-H2O]+ 188.99151 142.1
[M+HCOO]- 250.99245 159.2
[M+CH3COO]- 265.00810 177.9
[M+Na-2H]- 226.96892 145.7
[M]+ 205.99370 156.1
[M]- 205.99480 156.1
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