CID 3624959

7-oxo-8-nonenoic acid

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

C=CC(=O)CCCCCC(=O)O

InChI

InChI=1S/C9H14O3/c1-2-8(10)6-4-3-5-7-9(11)12/h2H,1,3-7H2,(H,11,12)

InChIKey

ULPCQFRHLZORMS-UHFFFAOYSA-N

Compound name

7-oxonon-8-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 170.0943 Da
Monoisotopic Mass: 1.2
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]+	171.101576	138.2
[M+Na]+	193.083518	144.2
[M-H]-	169.087024	136.7
[M+NH4]+	188.128123	157.8
[M+K]+	209.057458	142.7
[M+H-H2O]+	153.091560	133.5
[M+HCOO]-	215.092501	158.9
[M+CH3COO]-	229.108151	178.5
[M+Na-2H]-	191.068966	140.8
[M]+	170.09375142	139.7
[M]-	170.09484858	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe