CID 591132

2-amino-3-formyl-6,7-dimethylchromone

Structural Information

Molecular Formula

C₁₂H₁₁NO₃

SMILES

CC1=CC2=C(C=C1C)OC(=C(C2=O)C=O)N

InChI

InChI=1S/C12H11NO3/c1-6-3-8-10(4-7(6)2)16-12(13)9(5-14)11(8)15/h3-5H,13H2,1-2H3

InChIKey

VHPOBVWIUYMENY-UHFFFAOYSA-N

Compound name

2-amino-6,7-dimethyl-4-oxochromene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 217.0739 Da
Monoisotopic Mass: 2.0
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]+	218.08118	144.3
[M+Na]+	240.06312	159.1
[M+NH4]+	235.10772	152.4
[M+K]+	256.03706	153.0
[M-H]-	216.06662	148.5
[M+Na-2H]-	238.04857	149.9
[M]+	217.07335	147.6
[M]-	217.07445	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe