CID 35698

8-nonynoic acid

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C#CCCCCCCC(=O)O

InChI

InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h1H,3-8H2,(H,10,11)

InChIKey

NLRIJHGYFNZMGB-UHFFFAOYSA-N

Compound name

non-8-ynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 154.09938 Da
Monoisotopic Mass: 2.2
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]+	155.10666	133.2
[M+Na]+	177.08860	141.5
[M-H]-	153.09210	131.5
[M+NH4]+	172.13320	151.5
[M+K]+	193.06254	139.2
[M+H-H2O]+	137.09664	122.8
[M+HCOO]-	199.09758	149.1
[M+CH3COO]-	213.11323	184.5
[M+Na-2H]-	175.07405	136.8
[M]+	154.09883	129.4
[M]-	154.09993	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe