CID 134812104

(-)-mycomycin

Structural Information

Molecular Formula
C14H12O2
SMILES
CC#CC#CC=C=C/C=C/C=C/CC(=O)O
InChI
InChI=1S/C14H12O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6,8-12H,13H2,1H3,(H,15,16)/b10-9+,12-11+
InChIKey
FYRXMBRLTCXLBI-HULFFUFUSA-N
Compound name
(3E,5E)-tetradeca-3,5,7,8-tetraen-10,12-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.08372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.090996 162.2
[M+Na]+ 235.072938 171.3
[M-H]- 211.076444 162.0
[M+NH4]+ 230.117543 174.3
[M+K]+ 251.046878 165.5
[M+H-H2O]+ 195.080980 148.9
[M+HCOO]- 257.081921 170.3
[M+CH3COO]- 271.097571 208.5
[M+Na-2H]- 233.058386 161.2
[M]+ 212.08317142 153.6
[M]- 212.08426858 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.