CID 45588264

1890285-66-1

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

CN1CCOC2=C1C=C(C=C2)C(=O)O

InChI

InChI=1S/C10H11NO3/c1-11-4-5-14-9-3-2-7(10(12)13)6-8(9)11/h2-3,6H,4-5H2,1H3,(H,12,13)

InChIKey

RVIQTACOFRNOBG-UHFFFAOYSA-N

Compound name

4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 193.0739 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]+	194.08118	139.5
[M+Na]+	216.06312	152.1
[M+NH4]+	211.10772	147.4
[M+K]+	232.03706	147.2
[M-H]-	192.06662	141.8
[M+Na-2H]-	214.04857	144.0
[M]+	193.07335	141.8
[M]-	193.07445	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe