CID 165942784

2-[1-(bromomethyl)cyclopentyl]acetic acid

Structural Information

Molecular Formula
C8H13BrO2
SMILES
C1CCC(C1)(CC(=O)O)CBr
InChI
InChI=1S/C8H13BrO2/c9-6-8(5-7(10)11)3-1-2-4-8/h1-6H2,(H,10,11)
InChIKey
MRNGLZQWVWOPAP-UHFFFAOYSA-N
Compound name
2-[1-(bromomethyl)cyclopentyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.00989 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.017166 145.0
[M+Na]+ 242.999108 154.6
[M-H]- 219.002614 149.5
[M+NH4]+ 238.043713 169.5
[M+K]+ 258.973048 144.3
[M+H-H2O]+ 203.007150 146.5
[M+HCOO]- 265.008091 163.4
[M+CH3COO]- 279.023741 180.8
[M+Na-2H]- 240.984556 149.8
[M]+ 220.00934142 161.0
[M]- 220.01043858 161.0
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

No patent data available for this compound.