CID 7062225

28226-22-4

Structural Information

Molecular Formula

C₈H₈N₂O₃

SMILES

C1COC2=C(N1)C=C(C=C2)[N+](=O)[O-]

InChI

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

InChIKey

GZAJZBARYACGSO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 262
Patents: 180.0535 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]+	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

patents stripe