CID 179620

Murralongin

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

CC(=C(C=O)C1=C(C=CC2=C1OC(=O)C=C2)OC)C

InChI

InChI=1S/C15H14O4/c1-9(2)11(8-16)14-12(18-3)6-4-10-5-7-13(17)19-15(10)14/h4-8H,1-3H3

InChIKey

PBAZKMWQUBDDLZ-UHFFFAOYSA-N

Compound name

2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 258.0892 Da
Monoisotopic Mass: 2.8
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]+	259.09648	155.0
[M+Na]+	281.07842	168.9
[M+NH4]+	276.12302	162.2
[M+K]+	297.05236	163.2
[M-H]-	257.08192	157.8
[M+Na-2H]-	279.06387	159.9
[M]+	258.08865	157.7
[M]-	258.08975	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe