CID 295642

1-[2-(1h-indol-3-yl)ethyl]pyrrolidin-2-one

Structural Information

Molecular Formula
C14H16N2O
SMILES
C1CC(=O)N(C1)CCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C14H16N2O/c17-14-6-3-8-16(14)9-7-11-10-15-13-5-2-1-4-12(11)13/h1-2,4-5,10,15H,3,6-9H2
InChIKey
HUULIVDXAQTZEE-UHFFFAOYSA-N
Compound name
1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

228.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 151.6
[M+Na]+ 251.11549 160.1
[M-H]- 227.11899 155.6
[M+NH4]+ 246.16009 170.9
[M+K]+ 267.08943 155.1
[M+H-H2O]+ 211.12353 144.0
[M+HCOO]- 273.12447 172.3
[M+CH3COO]- 287.14012 163.9
[M+Na-2H]- 249.10094 154.1
[M]+ 228.12572 150.4
[M]- 228.12682 150.4
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