CID 66109541

2,3-dihydrospiro[indene-1,3'-pyrrolidine]-5'-one

Structural Information

Molecular Formula
C12H13NO
SMILES
C1CC2(CC(=O)NC2)C3=CC=CC=C31
InChI
InChI=1S/C12H13NO/c14-11-7-12(8-13-11)6-5-9-3-1-2-4-10(9)12/h1-4H,5-8H2,(H,13,14)
InChIKey
ZGUQZVBFAFKXJC-UHFFFAOYSA-N
Compound name
spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.106996 142.3
[M+Na]+ 210.088938 150.6
[M-H]- 186.092444 146.4
[M+NH4]+ 205.133543 166.8
[M+K]+ 226.062878 146.1
[M+H-H2O]+ 170.096980 136.5
[M+HCOO]- 232.097921 162.1
[M+CH3COO]- 246.113571 155.2
[M+Na-2H]- 208.074386 146.3
[M]+ 187.09917142 137.6
[M]- 187.10026858 137.6
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

No patent data available for this compound.