CID 12309380

Drosophilin d

Structural Information

Molecular Formula

C₁₁H₈O₂

SMILES

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

InChI

InChI=1S/C11H8O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h3,8-9H,1,10H2,(H,12,13)/b9-8-

InChIKey

WLBLOEHLZMSYSA-HJWRWDBZSA-N

Compound name

(3Z)-undeca-3,9,10-trien-5,7-diynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.05243 Da
Monoisotopic Mass: 1.6
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]+	173.05971	153.1
[M+Na]+	195.04165	162.7
[M-H]-	171.04515	153.2
[M+NH4]+	190.08625	166.2
[M+K]+	211.01559	157.9
[M+H-H2O]+	155.04969	140.1
[M+HCOO]-	217.05063	161.7
[M+CH3COO]-	231.06628	203.7
[M+Na-2H]-	193.02710	153.3
[M]+	172.05188	144.3
[M]-	172.05298	144.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.