CID 71445464

Microcarbonin a

Structural Information

Molecular Formula
C25H36O2
SMILES
CCCCCCCCCCC1=C(C=C(C=C1O)C#CC#CCCCCC)O
InChI
InChI=1S/C25H36O2/c1-3-5-7-9-11-13-15-17-19-23-24(26)20-22(21-25(23)27)18-16-14-12-10-8-6-4-2/h20-21,26-27H,3-11,13,15,17,19H2,1-2H3
InChIKey
SIKKSDHUYNQRBH-UHFFFAOYSA-N
Compound name
2-decyl-5-nona-1,3-diynylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.27155 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.27883 187.8
[M+Na]+ 391.26077 195.6
[M-H]- 367.26427 187.5
[M+NH4]+ 386.30537 195.7
[M+K]+ 407.23471 187.9
[M+H-H2O]+ 351.26881 173.3
[M+HCOO]- 413.26975 193.6
[M+CH3COO]- 427.28540 230.6
[M+Na-2H]- 389.24622 184.2
[M]+ 368.27100 182.3
[M]- 368.27210 182.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.