CID 68081

Isoimperatorin

Structural Information

Molecular Formula
C16H14O4
SMILES
CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C
InChI
InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3
InChIKey
IGWDEVSBEKYORK-UHFFFAOYSA-N
Compound name
4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

102
References

818
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

patents stripe