CID 5458646

7e-mycosinyl acetate

Structural Information

Molecular Formula
C15H12O4
SMILES
CC#CC#C/C=C/1\C=CC2(O1)C(C=CO2)OC(=O)C
InChI
InChI=1S/C15H12O4/c1-3-4-5-6-7-13-8-10-15(19-13)14(9-11-17-15)18-12(2)16/h7-11,14H,1-2H3/b13-7+
InChIKey
XQVRVLVORPSYNU-NTUHNPAUSA-N
Compound name
[(2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

256.07355 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 172.5
[M+Na]+ 279.06277 179.9
[M+NH4]+ 274.10737 172.9
[M+K]+ 295.03671 171.5
[M-H]- 255.06627 161.9
[M+Na-2H]- 277.04822 169.8
[M]+ 256.07300 169.3
[M]- 256.07410 169.3
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

patents stripe