CID 31090

22244-22-0

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

CCOC(=O)C1CNC2=CC=CC=C2O1

InChI

InChI=1S/C11H13NO3/c1-2-14-11(13)10-7-12-8-5-3-4-6-9(8)15-10/h3-6,10,12H,2,7H2,1H3

InChIKey

FGYXHLIMQKWPIL-UHFFFAOYSA-N

Compound name

ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 86
Patents: 207.08954 Da
Monoisotopic Mass: 2.0
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]+	208.09682	144.5
[M+Na]+	230.07876	156.5
[M+NH4]+	225.12336	152.2
[M+K]+	246.05270	151.1
[M-H]-	206.08226	146.7
[M+Na-2H]-	228.06421	148.9
[M]+	207.08899	146.7
[M]-	207.09009	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe