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]+ 173.11722 140.4
[M+Na]+ 195.09916 144.8
[M-H]- 171.10266 141.8
[M+NH4]+ 190.14376 161.3
[M+K]+ 211.07310 144.5
[M+H-H2O]+ 155.10720 135.1
[M+HCOO]- 217.10814 160.0
[M+CH3COO]- 231.12379 176.4
[M+Na-2H]- 193.08461 141.3
[M]+ 172.10939 138.5
[M]- 172.11049 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.