CID 163186142

Protegencin

Structural Information

Molecular Formula

C₁₈H₁₈O₂

SMILES

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

InChI

InChI=1S/C18H18O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1,9-10H,11-17H2,(H,19,20)/b10-9+

InChIKey

AMCJPHJAMUEWRC-MDZDMXLPSA-N

Compound name

(E)-octadec-9-en-11,13,15,17-tetraynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.13068 Da
Monoisotopic Mass: 4.6
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]+	267.13796	166.4
[M+Na]+	289.11990	171.5
[M-H]-	265.12340	169.7
[M+NH4]+	284.16450	170.1
[M+K]+	305.09384	168.6
[M+H-H2O]+	249.12794	159.1
[M+HCOO]-	311.12888	166.4
[M+CH3COO]-	325.14453	244.7
[M+Na-2H]-	287.10535	163.2
[M]+	266.13013	161.7
[M]-	266.13123	161.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.