CID 2761023

3-(1,2,3,6-tetrahydropyridin-4-yl)-1h-indole

Structural Information

Molecular Formula
C13H14N2
SMILES
C1CNCC=C1C2=CNC3=CC=CC=C32
InChI
InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
InChIKey
CIRSPTXGPFAXRE-UHFFFAOYSA-N
Compound name
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

494
Patents

198.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 142.6
[M+Na]+ 221.10491 150.2
[M-H]- 197.10841 144.7
[M+NH4]+ 216.14951 160.4
[M+K]+ 237.07885 144.0
[M+H-H2O]+ 181.11295 134.8
[M+HCOO]- 243.11389 160.9
[M+CH3COO]- 257.12954 154.2
[M+Na-2H]- 219.09036 148.9
[M]+ 198.11514 137.3
[M]- 198.11624 137.3
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