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

0
Patents

205.99425 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.001526 140.4
[M+Na]+ 228.983468 150.4
[M-H]- 204.986974 145.1
[M+NH4]+ 224.028073 165.4
[M+K]+ 244.957408 140.4
[M+H-H2O]+ 188.991510 142.1
[M+HCOO]- 250.992451 159.2
[M+CH3COO]- 265.008101 177.9
[M+Na-2H]- 226.968916 145.7
[M]+ 205.99370142 156.1
[M]- 205.99479858 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