CID 90131688

1603068-17-2

Structural Information

Molecular Formula
C11H9NO2
SMILES
C1C(=O)CC12C3=CC=CC=C3NC2=O
InChI
InChI=1S/C11H9NO2/c13-7-5-11(6-7)8-3-1-2-4-9(8)12-10(11)14/h1-4H,5-6H2,(H,12,14)
InChIKey
DIBPKWQRMFSZTH-UHFFFAOYSA-N
Compound name
spiro[1H-indole-3,3'-cyclobutane]-1',2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

187.06332 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.070596 134.8
[M+Na]+ 210.052538 143.6
[M-H]- 186.056044 139.5
[M+NH4]+ 205.097143 151.5
[M+K]+ 226.026478 142.4
[M+H-H2O]+ 170.060580 125.1
[M+HCOO]- 232.061521 154.3
[M+CH3COO]- 246.077171 181.4
[M+Na-2H]- 208.037986 141.1
[M]+ 187.06277142 141.5
[M]- 187.06386858 141.5
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