CID 43154879

1092352-65-2

Structural Information

Molecular Formula

C₁₀H₉NO₄

SMILES

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

InChI

InChI=1S/C10H9NO4/c1-5-9(12)11-7-4-6(10(13)14)2-3-8(7)15-5/h2-5H,1H3,(H,11,12)(H,13,14)

InChIKey

JDFHPMWWJCAFQJ-UHFFFAOYSA-N

Compound name

2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 207.05316 Da
Monoisotopic Mass: 0.8
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]+	208.06044	142.1
[M+Na]+	230.04238	154.0
[M+NH4]+	225.08698	148.7
[M+K]+	246.01632	150.1
[M-H]-	206.04588	143.1
[M+Na-2H]-	228.02783	145.1
[M]+	207.05261	143.8
[M]-	207.05371	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe