CID 549239

7-nonynoic acid

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CC#CCCCCCC(=O)O

InChI

InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h4-8H2,1H3,(H,10,11)

InChIKey

XHWZIVIBBICWQB-UHFFFAOYSA-N

Compound name

non-7-ynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 154.09938 Da
Monoisotopic Mass: 2.3
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	133.5
[M+Na]+	177.08860	141.9
[M-H]-	153.09210	131.9
[M+NH4]+	172.13320	151.9
[M+K]+	193.06254	139.7
[M+H-H2O]+	137.09664	123.1
[M+HCOO]-	199.09758	149.4
[M+CH3COO]-	213.11323	183.9
[M+Na-2H]-	175.07405	137.1
[M]+	154.09883	129.7
[M]-	154.09993	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.