CID 43808822

2-(cyclopentyloxy)butanoic acid

Structural Information

Molecular Formula
C9H16O3
SMILES
CCC(C(=O)O)OC1CCCC1
InChI
InChI=1S/C9H16O3/c1-2-8(9(10)11)12-7-5-3-4-6-7/h7-8H,2-6H2,1H3,(H,10,11)
InChIKey
LGKCVIZESXEACQ-UHFFFAOYSA-N
Compound name
2-cyclopentyloxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 140.4
[M+Na]+ 195.099158 144.8
[M-H]- 171.102664 141.8
[M+NH4]+ 190.143763 161.3
[M+K]+ 211.073098 144.5
[M+H-H2O]+ 155.107200 135.1
[M+HCOO]- 217.108141 160.0
[M+CH3COO]- 231.123791 176.4
[M+Na-2H]- 193.084606 141.3
[M]+ 172.10939142 138.5
[M]- 172.11048858 138.5
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

No patent data available for this compound.