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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 132.2
[M+Na]+ 203.04272 138.5
[M-H]- 179.04622 134.5
[M+NH4]+ 198.08732 148.9
[M+K]+ 219.01666 133.2
[M+H-H2O]+ 163.05076 130.2
[M+HCOO]- 225.05170 151.8
[M+CH3COO]- 239.06735 171.0
[M+Na-2H]- 201.02817 143.2
[M]+ 180.05295 127.7
[M]- 180.05405 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe