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: 103
References: 816
Patents: 270.0892 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe