CID 18961793

142166-01-6

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

COC(=O)C1=CC2=C(C=C1)NCCO2

InChI

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

InChIKey

QHAIQLAFSPRIGM-UHFFFAOYSA-N

Compound name

methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
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	139.9
[M+Na]+	216.06312	152.2
[M+NH4]+	211.10772	147.9
[M+K]+	232.03706	147.0
[M-H]-	192.06662	142.2
[M+Na-2H]-	214.04857	144.6
[M]+	193.07335	142.2
[M]-	193.07445	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe