CID 16244454

1423033-34-4

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

COC(=O)C1=C2C(=CC=C1)NCCO2

InChI

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

InChIKey

OUQQWQDSJWWELE-UHFFFAOYSA-N

Compound name

methyl 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 193.0739 Da
Monoisotopic Mass: 1.5
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	139.1
[M+Na]+	216.06312	146.0
[M-H]-	192.06662	141.2
[M+NH4]+	211.10772	156.1
[M+K]+	232.03706	145.0
[M+H-H2O]+	176.07116	132.4
[M+HCOO]-	238.07210	156.5
[M+CH3COO]-	252.08775	179.2
[M+Na-2H]-	214.04857	146.6
[M]+	193.07335	137.9
[M]-	193.07445	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe