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 158.2
[M+Na]+ 293.07842 169.5
[M-H]- 269.08192 166.1
[M+NH4]+ 288.12302 176.4
[M+K]+ 309.05236 167.9
[M+H-H2O]+ 253.08646 152.5
[M+HCOO]- 315.08740 180.6
[M+CH3COO]- 329.10305 197.9
[M+Na-2H]- 291.06387 165.4
[M]+ 270.08865 166.4
[M]- 270.08975 166.4
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.