CID 69820

8-hydroxyoctanoic acid

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

C(CCCC(=O)O)CCCO

InChI

InChI=1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11)

InChIKey

KDMSVYIHKLZKET-UHFFFAOYSA-N

Compound name

8-hydroxyoctanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 16
References: 4447
Patents: 160.10994 Da
Monoisotopic Mass: -0.1
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]+	161.11722	136.5
[M+Na]+	183.09916	144.8
[M+NH4]+	178.14376	142.7
[M+K]+	199.07310	140.3
[M-H]-	159.10266	133.9
[M+Na-2H]-	181.08461	138.0
[M]+	160.10939	136.5
[M]-	160.11049	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe