CID 12431569

69152-89-2

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

C(CCCC(=O)O)CC/C=C/C=O

InChI

InChI=1S/C10H16O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,9H,1-4,6,8H2,(H,12,13)/b7-5+

InChIKey

YUAQBOMIASXPQW-FNORWQNLSA-N

Compound name

(E)-10-oxodec-8-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 92
Patents: 184.10994 Da
Monoisotopic Mass: 1.9
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]+	185.117216	142.7
[M+Na]+	207.099158	148.6
[M-H]-	183.102664	141.0
[M+NH4]+	202.143763	161.9
[M+K]+	223.073098	146.4
[M+H-H2O]+	167.107200	137.7
[M+HCOO]-	229.108141	164.1
[M+CH3COO]-	243.123791	180.0
[M+Na-2H]-	205.084606	146.0
[M]+	184.10939142	145.2
[M]-	184.11048858	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe