CID 24800196

Gallicynoic acid i

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

CCCCC(C#CCCC(=O)O)O

InChI

InChI=1S/C10H16O3/c1-2-3-6-9(11)7-4-5-8-10(12)13/h9,11H,2-3,5-6,8H2,1H3,(H,12,13)

InChIKey

DPGVHXHAHQPSNB-UHFFFAOYSA-N

Compound name

6-hydroxydec-4-ynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.10994 Da
Monoisotopic Mass: 1.4
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]+	185.11722	142.9
[M+Na]+	207.09916	150.2
[M-H]-	183.10266	139.8
[M+NH4]+	202.14376	159.5
[M+K]+	223.07310	147.9
[M+H-H2O]+	167.10720	132.3
[M+HCOO]-	229.10814	156.4
[M+CH3COO]-	243.12379	186.2
[M+Na-2H]-	205.08461	144.1
[M]+	184.10939	138.2
[M]-	184.11049	138.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.