CID 30876

21964-98-7

Structural Information

Molecular Formula

C₈H₈N₂O₃

SMILES

C1C2=C(CON1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O3/c11-10(12)8-2-1-6-4-9-13-5-7(6)3-8/h1-3,9H,4-5H2

InChIKey

ZOZABKCYUYXXRS-UHFFFAOYSA-N

Compound name

7-nitro-3,4-dihydro-1H-2,3-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.0535 Da
Monoisotopic Mass: 0.7
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]+	181.06078	132.7
[M+Na]+	203.04272	146.0
[M+NH4]+	198.08732	141.2
[M+K]+	219.01666	143.2
[M-H]-	179.04622	136.9
[M+Na-2H]-	201.02817	138.1
[M]+	180.05295	135.6
[M]-	180.05405	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.