CID 10585820

179950-70-0

Structural Information

Molecular Formula

C₁₂H₁₃NO₄

SMILES

CC1(C(=O)NC2=C(O1)C=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C12H13NO4/c1-12(2)11(15)13-8-5-4-7(10(14)16-3)6-9(8)17-12/h4-6H,1-3H3,(H,13,15)

InChIKey

GESDBCNLPUFJMW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 235.08446 Da
Monoisotopic Mass: 1.3
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]+	236.091736	149.0
[M+Na]+	258.073678	158.1
[M-H]-	234.077184	151.9
[M+NH4]+	253.118283	166.9
[M+K]+	274.047618	156.9
[M+H-H2O]+	218.081720	143.0
[M+HCOO]-	280.082661	166.0
[M+CH3COO]-	294.098311	188.6
[M+Na-2H]-	256.059126	155.4
[M]+	235.08391142	150.5
[M]-	235.08500858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe