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 143.9
[M+Na]+ 245.05328 150.6
[M-H]- 221.05678 147.7
[M+NH4]+ 240.09788 159.7
[M+K]+ 261.02722 146.1
[M+H-H2O]+ 205.06132 141.5
[M+HCOO]- 267.06226 163.7
[M+CH3COO]- 281.07791 182.2
[M+Na-2H]- 243.03873 152.6
[M]+ 222.06351 142.2
[M]- 222.06461 142.2
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.