CID 125511820

1h,3h,4h-[1,4]oxazino[4,3-a]indole-1,3-dione

Structural Information

Molecular Formula
C11H7NO3
SMILES
C1C(=O)OC(=O)C2=CC3=CC=CC=C3N21
InChI
InChI=1S/C11H7NO3/c13-10-6-12-8-4-2-1-3-7(8)5-9(12)11(14)15-10/h1-5H,6H2
InChIKey
QBBPNPLZOCHBSW-UHFFFAOYSA-N
Compound name
4H-[1,4]oxazino[4,3-a]indole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.04259 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04987 136.4
[M+Na]+ 224.03181 148.1
[M-H]- 200.03531 142.1
[M+NH4]+ 219.07641 157.2
[M+K]+ 240.00575 145.7
[M+H-H2O]+ 184.03985 130.5
[M+HCOO]- 246.04079 158.2
[M+CH3COO]- 260.05644 151.2
[M+Na-2H]- 222.01726 144.8
[M]+ 201.04204 139.2
[M]- 201.04314 139.2
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.