CID 543977

7-octenoic acid

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

C=CCCCCCC(=O)O

InChI

InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2H,1,3-7H2,(H,9,10)

InChIKey

OZYYQTRHHXLTKX-UHFFFAOYSA-N

Compound name

oct-7-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 1926
Patents: 142.09938 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]+	143.10666	132.1
[M+Na]+	165.08860	138.5
[M-H]-	141.09210	130.7
[M+NH4]+	160.13320	153.0
[M+K]+	181.06254	137.0
[M+H-H2O]+	125.09664	127.6
[M+HCOO]-	187.09758	153.7
[M+CH3COO]-	201.11323	173.5
[M+Na-2H]-	163.07405	136.4
[M]+	142.09883	133.1
[M]-	142.09993	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe