CID 22462569

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

Structural Information

Molecular Formula
C14H16N2
SMILES
CN1C=C(C2=CC=CC=C21)C3=CCNCC3
InChI
InChI=1S/C14H16N2/c1-16-10-13(11-6-8-15-9-7-11)12-4-2-3-5-14(12)16/h2-6,10,15H,7-9H2,1H3
InChIKey
IYVSWFIJIOPUDN-UHFFFAOYSA-N
Compound name
1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

212.13135 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.138626 147.4
[M+Na]+ 235.120568 156.0
[M-H]- 211.124074 151.1
[M+NH4]+ 230.165173 165.7
[M+K]+ 251.094508 150.4
[M+H-H2O]+ 195.128610 139.3
[M+HCOO]- 257.129551 166.9
[M+CH3COO]- 271.145201 159.6
[M+Na-2H]- 233.106016 152.8
[M]+ 212.13080142 144.6
[M]- 212.13189858 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

No literature data available for this compound.

Patent stripe

patents stripe