CID 26120

13582-93-9

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

C1C(OC2=CC=CC=C2N1)C(=O)N

InChI

InChI=1S/C9H10N2O2/c10-9(12)8-5-11-6-3-1-2-4-7(6)13-8/h1-4,8,11H,5H2,(H2,10,12)

InChIKey

HFMCIPVAQHTOPB-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 30
Patents: 178.07423 Da
Monoisotopic Mass: 0.6
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]+	179.08151	136.5
[M+Na]+	201.06345	147.8
[M+NH4]+	196.10805	144.5
[M+K]+	217.03739	143.0
[M-H]-	177.06695	139.3
[M+Na-2H]-	199.04890	141.1
[M]+	178.07368	138.6
[M]-	178.07478	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe