CID 57336667

2',3'-dihydro-1'h-spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione

Structural Information

Molecular Formula
C11H9NO2
SMILES
C1CC12C3=CC=CC=C3C(=O)NC2=O
InChI
InChI=1S/C11H9NO2/c13-9-7-3-1-2-4-8(7)11(5-6-11)10(14)12-9/h1-4H,5-6H2,(H,12,13,14)
InChIKey
GLVMLLRAWVMDQC-UHFFFAOYSA-N
Compound name
spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

187.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 143.8
[M+Na]+ 210.05254 155.1
[M-H]- 186.05604 148.9
[M+NH4]+ 205.09714 160.1
[M+K]+ 226.02648 150.6
[M+H-H2O]+ 170.06058 137.6
[M+HCOO]- 232.06152 162.5
[M+CH3COO]- 246.07717 156.4
[M+Na-2H]- 208.03799 151.6
[M]+ 187.06277 143.5
[M]- 187.06387 143.5
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