CID 30885

21977-26-4

Structural Information

Molecular Formula
C10H10N2O4
SMILES
CC(=O)N1CC2=C(CO1)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O4/c1-7(13)11-5-9-4-10(12(14)15)3-2-8(9)6-16-11/h2-4H,5-6H2,1H3
InChIKey
FFRVMAQKEPCGOM-UHFFFAOYSA-N
Compound name
1-(6-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.06406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07134 143.5
[M+Na]+ 245.05328 156.6
[M+NH4]+ 240.09788 151.1
[M+K]+ 261.02722 154.4
[M-H]- 221.05678 147.3
[M+Na-2H]- 243.03873 147.9
[M]+ 222.06351 146.2
[M]- 222.06461 146.2
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

No patent data available for this compound.