CID 10081972

Dtxsid601019577

Structural Information

Molecular Formula

C₁₂H₂₂O₃

SMILES

CCCCCC1C(CCC1O)CC(=O)O

InChI

InChI=1S/C12H22O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-11,13H,2-8H2,1H3,(H,14,15)

InChIKey

AXMWVEOITAQHFI-UHFFFAOYSA-N

Compound name

2-(3-hydroxy-2-pentylcyclopentyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 348
Patents: 214.15689 Da
Monoisotopic Mass: 2.6
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]+	215.16417	152.1
[M+Na]+	237.14611	159.4
[M+NH4]+	232.19071	158.5
[M+K]+	253.12005	156.6
[M-H]-	213.14961	151.0
[M+Na-2H]-	235.13156	152.7
[M]+	214.15634	152.3
[M]-	214.15744	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe