CID 43366

Cromodil

Structural Information

Molecular Formula

C₁₂H₁₂O₂

SMILES

CC1=C2C(=O)C=C(OC2=C(C=C1)C)C

InChI

InChI=1S/C12H12O2/c1-7-4-5-8(2)12-11(7)10(13)6-9(3)14-12/h4-6H,1-3H3

InChIKey

KJRCVOWXLZJQKW-UHFFFAOYSA-N

Compound name

2,5,8-trimethylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 188.08372 Da
Monoisotopic Mass: 2.6
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]+	189.09100	135.6
[M+Na]+	211.07294	147.4
[M-H]-	187.07644	142.3
[M+NH4]+	206.11754	156.3
[M+K]+	227.04688	145.6
[M+H-H2O]+	171.08098	130.2
[M+HCOO]-	233.08192	158.9
[M+CH3COO]-	247.09757	185.7
[M+Na-2H]-	209.05839	143.8
[M]+	188.08317	139.9
[M]-	188.08427	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe