CID 854734

3,4,8-trimethyl-2-oxo-2h-chromen-7-yl acetate

Structural Information

Molecular Formula

C₁₄H₁₄O₄

SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(=O)C)C

InChI

InChI=1S/C14H14O4/c1-7-8(2)14(16)18-13-9(3)12(17-10(4)15)6-5-11(7)13/h5-6H,1-4H3

InChIKey

NYHWEIQZVGZLRW-UHFFFAOYSA-N

Compound name

(3,4,8-trimethyl-2-oxochromen-7-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 246.0892 Da
Monoisotopic Mass: 2.3
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]+	247.096476	149.8
[M+Na]+	269.078418	161.4
[M-H]-	245.081924	156.6
[M+NH4]+	264.123023	168.1
[M+K]+	285.052358	160.3
[M+H-H2O]+	229.086460	143.9
[M+HCOO]-	291.087401	171.9
[M+CH3COO]-	305.103051	196.8
[M+Na-2H]-	267.063866	155.0
[M]+	246.08865142	156.7
[M]-	246.08974858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe