CID 13953726

21875-91-2

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

CC1=C2C(=O)CCOC2=C(C=C1)C

InChI

InChI=1S/C11H12O2/c1-7-3-4-8(2)11-10(7)9(12)5-6-13-11/h3-4H,5-6H2,1-2H3

InChIKey

NGHNVBFCBFQAEY-UHFFFAOYSA-N

Compound name

5,8-dimethyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 176.08372 Da
Monoisotopic Mass: 2.1
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]+	177.09100	133.9
[M+Na]+	199.07294	143.1
[M-H]-	175.07644	139.6
[M+NH4]+	194.11754	154.6
[M+K]+	215.04688	141.9
[M+H-H2O]+	159.08098	128.5
[M+HCOO]-	221.08192	154.7
[M+CH3COO]-	235.09757	182.1
[M+Na-2H]-	197.05839	141.4
[M]+	176.08317	134.5
[M]-	176.08427	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe