CID 181312

Heratomin

Structural Information

Molecular Formula
C16H14O4
SMILES
CC(=CCOC1=C2C(=C3C(=C1)C=CC(=O)O3)C=CO2)C
InChI
InChI=1S/C16H14O4/c1-10(2)5-7-18-13-9-11-3-4-14(17)20-15(11)12-6-8-19-16(12)13/h3-6,8-9H,7H2,1-2H3
InChIKey
DSDJMMMGDPDPIX-UHFFFAOYSA-N
Compound name
6-(3-methylbut-2-enoxy)furo[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0892 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 157.0
[M+Na]+ 293.07842 172.2
[M+NH4]+ 288.12302 165.3
[M+K]+ 309.05236 167.4
[M-H]- 269.08192 162.0
[M+Na-2H]- 291.06387 161.8
[M]+ 270.08865 160.7
[M]- 270.08975 160.7
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.