CID 2029802

154869-10-0

Structural Information

Molecular Formula
C10H7NO4
SMILES
C1COC2=C(O1)C=C3C(=C2)NC(=O)C3=O
InChI
InChI=1S/C10H7NO4/c12-9-5-3-7-8(15-2-1-14-7)4-6(5)11-10(9)13/h3-4H,1-2H2,(H,11,12,13)
InChIKey
LPLGAWXVXLFCCK-UHFFFAOYSA-N
Compound name
3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

205.0375 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04478 137.7
[M+Na]+ 228.02672 147.3
[M-H]- 204.03022 142.0
[M+NH4]+ 223.07132 156.0
[M+K]+ 244.00066 146.1
[M+H-H2O]+ 188.03476 132.2
[M+HCOO]- 250.03570 154.5
[M+CH3COO]- 264.05135 151.0
[M+Na-2H]- 226.01217 145.0
[M]+ 205.03695 137.5
[M]- 205.03805 137.5
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

patents stripe