CID 44791573

933708-57-7

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

C1COC2=CC=CC=C2N1CC(=O)O

InChI

InChI=1S/C10H11NO3/c12-10(13)7-11-5-6-14-9-4-2-1-3-8(9)11/h1-4H,5-7H2,(H,12,13)

InChIKey

MKQDLENGVAZKHV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 193.0739 Da
Monoisotopic Mass: 1.4
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]+	194.08118	138.9
[M+Na]+	216.06312	145.7
[M-H]-	192.06662	140.9
[M+NH4]+	211.10772	155.8
[M+K]+	232.03706	144.6
[M+H-H2O]+	176.07116	132.2
[M+HCOO]-	238.07210	156.2
[M+CH3COO]-	252.08775	179.8
[M+Na-2H]-	214.04857	146.3
[M]+	193.07335	137.7
[M]-	193.07445	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe