CID 29557

3-(5-ethyl-1-methylpyrrolidin-2-yl)-1h-indole

Structural Information

Molecular Formula
C15H20N2
SMILES
CCC1CCC(N1C)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C15H20N2/c1-3-11-8-9-15(17(11)2)13-10-16-14-7-5-4-6-12(13)14/h4-7,10-11,15-16H,3,8-9H2,1-2H3
InChIKey
SCSHLMQESUQPEU-UHFFFAOYSA-N
Compound name
3-(5-ethyl-1-methylpyrrolidin-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.16264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16992 154.1
[M+Na]+ 251.15186 162.9
[M-H]- 227.15536 158.2
[M+NH4]+ 246.19646 173.9
[M+K]+ 267.12580 157.6
[M+H-H2O]+ 211.15990 146.7
[M+HCOO]- 273.16084 174.0
[M+CH3COO]- 287.17649 166.4
[M+Na-2H]- 249.13731 155.3
[M]+ 228.16209 152.9
[M]- 228.16319 152.9
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