CID 16244461

758684-29-6

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

COC(=O)C1=CC2=C(C=C1)OCCN2

InChI

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

InChIKey

CCROCSXSFACGHR-UHFFFAOYSA-N

Compound name

methyl 3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
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]+	194.081176	139.1
[M+Na]+	216.063118	146.0
[M-H]-	192.066624	141.2
[M+NH4]+	211.107723	156.1
[M+K]+	232.037058	145.0
[M+H-H2O]+	176.071160	132.4
[M+HCOO]-	238.072101	156.5
[M+CH3COO]-	252.087751	179.2
[M+Na-2H]-	214.048566	146.6
[M]+	193.07335142	137.9
[M]-	193.07444858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe