CID 363568

Nsc628540

Structural Information

Molecular Formula
C13H9NO5
SMILES
CC(=O)OC12C=CC(=O)N1C3=CC=CC=C3C(=O)O2
InChI
InChI=1S/C13H9NO5/c1-8(15)18-13-7-6-11(16)14(13)10-5-3-2-4-9(10)12(17)19-13/h2-7H,1H3
InChIKey
PEBATMLUABVPGO-UHFFFAOYSA-N
Compound name
(1,5-dioxopyrrolo[1,2-a][3,1]benzoxazin-3a-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

259.04807 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05535 151.3
[M+Na]+ 282.03729 161.7
[M-H]- 258.04079 156.7
[M+NH4]+ 277.08189 171.4
[M+K]+ 298.01123 160.4
[M+H-H2O]+ 242.04533 145.4
[M+HCOO]- 304.04627 170.4
[M+CH3COO]- 318.06192 193.2
[M+Na-2H]- 280.02274 158.1
[M]+ 259.04752 155.2
[M]- 259.04862 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.