CID 30451

Brn 1149753

Structural Information

Molecular Formula
C11H13N3O5
SMILES
C1C2=C(CON1CCOC(=O)N)C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H13N3O5/c12-11(15)18-4-3-13-6-8-1-2-10(14(16)17)5-9(8)7-19-13/h1-2,5H,3-4,6-7H2,(H2,12,15)
InChIKey
CVGRWCDFXQGLOY-UHFFFAOYSA-N
Compound name
2-(7-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.0855 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.092776 154.8
[M+Na]+ 290.074718 159.8
[M-H]- 266.078224 157.7
[M+NH4]+ 285.119323 167.8
[M+K]+ 306.048658 155.2
[M+H-H2O]+ 250.082760 151.4
[M+HCOO]- 312.083701 174.7
[M+CH3COO]- 326.099351 191.7
[M+Na-2H]- 288.060166 162.7
[M]+ 267.08495142 153.1
[M]- 267.08604858 153.1
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.