CID 20379906

68281-45-8

Structural Information

Molecular Formula
C11H12N2O5
SMILES
CCOC(=O)C1CNC2=C(O1)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H12N2O5/c1-2-17-11(14)10-6-12-8-5-7(13(15)16)3-4-9(8)18-10/h3-5,10,12H,2,6H2,1H3
InChIKey
YKLKADMWGXJPCX-UHFFFAOYSA-N
Compound name
ethyl 6-nitro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

252.07462 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.081896 151.5
[M+Na]+ 275.063838 157.0
[M-H]- 251.067344 153.7
[M+NH4]+ 270.108443 165.1
[M+K]+ 291.037778 152.0
[M+H-H2O]+ 235.071880 148.8
[M+HCOO]- 297.072821 169.5
[M+CH3COO]- 311.088471 184.8
[M+Na-2H]- 273.049286 159.4
[M]+ 252.07407142 149.7
[M]- 252.07516858 149.7
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