CID 152215

1h-indole, 3-(1-methyl-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H16N2
SMILES
CN1CCC(=CC1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C14H16N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-6,10,15H,7-9H2,1H3
InChIKey
IUENQRYBZHHPBN-UHFFFAOYSA-N
Compound name
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

22
Patents

212.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 147.4
[M+Na]+ 235.12057 156.0
[M-H]- 211.12407 151.1
[M+NH4]+ 230.16517 165.7
[M+K]+ 251.09451 150.4
[M+H-H2O]+ 195.12861 139.3
[M+HCOO]- 257.12955 166.9
[M+CH3COO]- 271.14520 159.6
[M+Na-2H]- 233.10602 152.8
[M]+ 212.13080 144.6
[M]- 212.13190 144.6
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