CID 15560146

Matricaric acid

Structural Information

Molecular Formula

C₁₀H₈O₂

SMILES

C/C=C/C#CC#C/C=C/C(=O)O

InChI

InChI=1S/C10H8O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3,8-9H,1H3,(H,11,12)/b3-2+,9-8+

InChIKey

XFJJYWHEBHHXPH-VHYPUYLQSA-N

Compound name

(2E,8E)-deca-2,8-dien-4,6-diynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 160.05243 Da
Monoisotopic Mass: 2.0
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]+	161.059706	149.6
[M+Na]+	183.041648	159.3
[M-H]-	159.045154	149.8
[M+NH4]+	178.086253	163.0
[M+K]+	199.015588	155.1
[M+H-H2O]+	143.049690	136.7
[M+HCOO]-	205.050631	158.3
[M+CH3COO]-	219.066281	202.3
[M+Na-2H]-	181.027096	150.2
[M]+	160.05188142	141.1
[M]-	160.05297858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe