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

19
Patents

252.07462 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08190 151.5
[M+Na]+ 275.06384 157.0
[M-H]- 251.06734 153.7
[M+NH4]+ 270.10844 165.1
[M+K]+ 291.03778 152.0
[M+H-H2O]+ 235.07188 148.8
[M+HCOO]- 297.07282 169.5
[M+CH3COO]- 311.08847 184.8
[M+Na-2H]- 273.04929 159.4
[M]+ 252.07407 149.7
[M]- 252.07517 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