CID 12264821

56934-87-3

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

CC1=CC(=C2C(=C1)C(=O)OC(=O)N2)C

InChI

InChI=1S/C10H9NO3/c1-5-3-6(2)8-7(4-5)9(12)14-10(13)11-8/h3-4H,1-2H3,(H,11,13)

InChIKey

ADHBZSJTJJYPLQ-UHFFFAOYSA-N

Compound name

6,8-dimethyl-1H-3,1-benzoxazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 191.05824 Da
Monoisotopic Mass: 1.7
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]+	192.06552	136.2
[M+Na]+	214.04746	151.8
[M+NH4]+	209.09206	144.1
[M+K]+	230.02140	145.9
[M-H]-	190.05096	139.0
[M+Na-2H]-	212.03291	142.2
[M]+	191.05769	139.2
[M]-	191.05879	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe