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]+ 221.01717 145.0
[M+Na]+ 242.99911 154.6
[M-H]- 219.00261 149.5
[M+NH4]+ 238.04371 169.5
[M+K]+ 258.97305 144.3
[M+H-H2O]+ 203.00715 146.5
[M+HCOO]- 265.00809 163.4
[M+CH3COO]- 279.02374 180.8
[M+Na-2H]- 240.98456 149.8
[M]+ 220.00934 161.0
[M]- 220.01044 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.