CID 19337

3-(1-methylpyrrolidin-3-yl)-1h-indole

Structural Information

Molecular Formula
C13H16N2
SMILES
CN1CCC(C1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C13H16N2/c1-15-7-6-10(9-15)12-8-14-13-5-3-2-4-11(12)13/h2-5,8,10,14H,6-7,9H2,1H3
InChIKey
GIUCRWSFDBHBDT-UHFFFAOYSA-N
Compound name
3-(1-methylpyrrolidin-3-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

51
Patents

200.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 144.7
[M+Na]+ 223.120568 153.5
[M-H]- 199.124074 148.8
[M+NH4]+ 218.165173 165.3
[M+K]+ 239.094508 148.8
[M+H-H2O]+ 183.128610 137.4
[M+HCOO]- 245.129551 165.4
[M+CH3COO]- 259.145201 157.5
[M+Na-2H]- 221.106016 147.7
[M]+ 200.13080142 142.5
[M]- 200.13189858 142.5
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