CID 78414

1-methyl-6-nitro-2h-3,1-benzoxazine-2,4(1h)-dione

Structural Information

Molecular Formula
C9H6N2O5
SMILES
CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC1=O
InChI
InChI=1S/C9H6N2O5/c1-10-7-3-2-5(11(14)15)4-6(7)8(12)16-9(10)13/h2-4H,1H3
InChIKey
CUIMZCXFMNKTEE-UHFFFAOYSA-N
Compound name
1-methyl-6-nitro-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

222.02766 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03494 138.9
[M+Na]+ 245.01688 150.1
[M-H]- 221.02038 144.3
[M+NH4]+ 240.06148 155.3
[M+K]+ 260.99082 144.9
[M+H-H2O]+ 205.02492 136.6
[M+HCOO]- 267.02586 163.1
[M+CH3COO]- 281.04151 182.2
[M+Na-2H]- 243.00233 149.9
[M]+ 222.02711 141.9
[M]- 222.02821 141.9
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