CID 209628

20068-43-3

Structural Information

Molecular Formula

C₁₀H₉NO₄

SMILES

C1C2=CC=CC=C2OC(=O)N1CC(=O)O

InChI

InChI=1S/C10H9NO4/c12-9(13)6-11-5-7-3-1-2-4-8(7)15-10(11)14/h1-4H,5-6H2,(H,12,13)

InChIKey

MRFMUNPHRJEAPP-UHFFFAOYSA-N

Compound name

2-(2-oxo-4H-1,3-benzoxazin-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.05316 Da
Monoisotopic Mass: 0.9
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]+	208.060436	140.3
[M+Na]+	230.042378	148.2
[M-H]-	206.045884	142.8
[M+NH4]+	225.086983	156.8
[M+K]+	246.016318	147.1
[M+H-H2O]+	190.050420	133.7
[M+HCOO]-	252.051361	158.0
[M+CH3COO]-	266.067011	182.5
[M+Na-2H]-	228.027826	147.1
[M]+	207.05261142	140.3
[M]-	207.05370858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe