CID 3042071

59022-46-7

Structural Information

Molecular Formula
C13H16N2O
SMILES
CCN1CCC2(C1)C3=CC=CC=C3NC2=O
InChI
InChI=1S/C13H16N2O/c1-2-15-8-7-13(9-15)10-5-3-4-6-11(10)14-12(13)16/h3-6H,2,7-9H2,1H3,(H,14,16)
InChIKey
BJKDWGHYHWIQIM-UHFFFAOYSA-N
Compound name
1'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.12627 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 150.5
[M+Na]+ 239.115488 159.2
[M-H]- 215.118994 153.4
[M+NH4]+ 234.160093 172.8
[M+K]+ 255.089428 154.5
[M+H-H2O]+ 199.123530 143.8
[M+HCOO]- 261.124471 168.7
[M+CH3COO]- 275.140121 162.7
[M+Na-2H]- 237.100936 153.2
[M]+ 216.12572142 147.1
[M]- 216.12681858 147.1
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.