CID 5461007

Mycomycin

Structural Information

Molecular Formula

C₁₃H₁₀O₂

SMILES

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

InChI

InChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h1,5,7-11H,12H2,(H,14,15)/b9-8-,11-10+

InChIKey

APNPVBXEWGCCLU-QNRZBPGKSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 605
Patents: 198.06808 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]+	199.07536	168.9
[M+Na]+	221.05730	176.0
[M+NH4]+	216.10190	167.8
[M+K]+	237.03124	165.5
[M-H]-	197.06080	155.4
[M+Na-2H]-	219.04275	164.8
[M]+	198.06753	164.6
[M]-	198.06863	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe