CID 26393

Pyr-t

Structural Information

Molecular Formula
C14H18N2
SMILES
C1CCN(C1)CCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C14H18N2/c1-2-6-14-13(5-1)12(11-15-14)7-10-16-8-3-4-9-16/h1-2,5-6,11,15H,3-4,7-10H2
InChIKey
CVTZCBLFHNGYDQ-UHFFFAOYSA-N
Compound name
3-(2-pyrrolidin-1-ylethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

214.147 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15428 149.6
[M+Na]+ 237.13622 162.0
[M+NH4]+ 232.18082 158.9
[M+K]+ 253.11016 157.6
[M-H]- 213.13972 152.7
[M+Na-2H]- 235.12167 156.3
[M]+ 214.14645 152.1
[M]- 214.14755 152.1
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

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