CID 218608

40942-82-3

Structural Information

Molecular Formula

C₁₁H₂₀O₃

SMILES

C1CC(C(C1)O)CCCCCC(=O)O

InChI

InChI=1S/C11H20O3/c12-10-7-4-6-9(10)5-2-1-3-8-11(13)14/h9-10,12H,1-8H2,(H,13,14)

InChIKey

BDYYFWAXIPGIEX-UHFFFAOYSA-N

Compound name

6-(2-hydroxycyclopentyl)hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 200.14125 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	201.14853	149.0
[M+Na]+	223.13047	153.3
[M-H]-	199.13397	148.9
[M+NH4]+	218.17507	168.4
[M+K]+	239.10441	151.1
[M+H-H2O]+	183.13851	143.8
[M+HCOO]-	245.13945	167.4
[M+CH3COO]-	259.15510	180.1
[M+Na-2H]-	221.11592	149.0
[M]+	200.14070	146.9
[M]-	200.14180	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe