CID 10798997

179950-69-7

Structural Information

Molecular Formula

C₁₁H₁₁NO₄

SMILES

CC1C(=O)NC2=C(O1)C=C(C=C2)C(=O)OC

InChI

InChI=1S/C11H11NO4/c1-6-10(13)12-8-4-3-7(11(14)15-2)5-9(8)16-6/h3-6H,1-2H3,(H,12,13)

InChIKey

OLLPWCOGKLTZEW-UHFFFAOYSA-N

Compound name

methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 221.0688 Da
Monoisotopic Mass: 1.1
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]+	222.07608	145.1
[M+Na]+	244.05802	153.7
[M-H]-	220.06152	147.9
[M+NH4]+	239.10262	161.5
[M+K]+	260.03196	152.4
[M+H-H2O]+	204.06606	138.6
[M+HCOO]-	266.06700	162.5
[M+CH3COO]-	280.08265	186.1
[M+Na-2H]-	242.04347	150.7
[M]+	221.06825	145.8
[M]-	221.06935	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe