CID 22972

6468-76-4

Structural Information

Molecular Formula

C₁₅H₁₄O₅

SMILES

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

InChI

InChI=1S/C15H14O5/c1-8(2)19-14(17)10-4-5-13-11(6-10)7-12(9(3)16)15(18)20-13/h4-8H,1-3H3

InChIKey

JVEISLFWHJXENT-UHFFFAOYSA-N

Compound name

propan-2-yl 3-acetyl-2-oxochromene-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 274.08414 Da
Monoisotopic Mass: 2.5
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]+	275.091416	156.9
[M+Na]+	297.073358	165.7
[M-H]-	273.076864	162.8
[M+NH4]+	292.117963	173.0
[M+K]+	313.047298	165.4
[M+H-H2O]+	257.081400	150.4
[M+HCOO]-	319.082341	177.1
[M+CH3COO]-	333.097991	200.6
[M+Na-2H]-	295.058806	160.7
[M]+	274.08359142	162.8
[M]-	274.08468858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe