CID 381513

Nsc668269

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

CC1(CC(=C)C(=O)O1)COC2=CC(=O)OC3=CC=CC=C32

InChI

InChI=1S/C16H14O5/c1-10-8-16(2,21-15(10)18)9-19-13-7-14(17)20-12-6-4-3-5-11(12)13/h3-7H,1,8-9H2,2H3

InChIKey

KKIQVSBZFBKASX-UHFFFAOYSA-N

Compound name

4-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methoxy]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 286.08414 Da
Monoisotopic Mass: 2.4
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]+	287.091416	159.4
[M+Na]+	309.073358	169.9
[M-H]-	285.076864	169.3
[M+NH4]+	304.117963	177.6
[M+K]+	325.047298	168.7
[M+H-H2O]+	269.081400	153.7
[M+HCOO]-	331.082341	180.6
[M+CH3COO]-	345.097991	199.1
[M+Na-2H]-	307.058806	165.3
[M]+	286.08359142	164.3
[M]-	286.08468858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe