CID 21478

5379-94-2

Structural Information

Molecular Formula
C13H16N2
SMILES
C1CCN(C1)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C13H16N2/c1-2-6-13-12(5-1)11(9-14-13)10-15-7-3-4-8-15/h1-2,5-6,9,14H,3-4,7-8,10H2
InChIKey
ZIIMZMSKBKAABD-UHFFFAOYSA-N
Compound name
3-(pyrrolidin-1-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 144.4
[M+Na]+ 223.120568 152.3
[M-H]- 199.124074 148.1
[M+NH4]+ 218.165173 164.7
[M+K]+ 239.094508 147.6
[M+H-H2O]+ 183.128610 136.7
[M+HCOO]- 245.129551 165.1
[M+CH3COO]- 259.145201 156.9
[M+Na-2H]- 221.106016 148.2
[M]+ 200.13080142 141.8
[M]- 200.13189858 141.8
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