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: 37
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]+	192.065516	135.0
[M+Na]+	214.047458	147.4
[M-H]-	190.050964	139.1
[M+NH4]+	209.092063	153.3
[M+K]+	230.021398	144.9
[M+H-H2O]+	174.055500	129.0
[M+HCOO]-	236.056441	156.4
[M+CH3COO]-	250.072091	181.3
[M+Na-2H]-	212.032906	143.5
[M]+	191.05769142	137.9
[M]-	191.05878858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe