CID 6092

N-ethyltryptamine

Structural Information

Molecular Formula
C12H16N2
SMILES
CCNCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C12H16N2/c1-2-13-8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,9,13-14H,2,7-8H2,1H3
InChIKey
TZWUSTVNAVKAPA-UHFFFAOYSA-N
Compound name
N-ethyl-2-(1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

244
Patents

188.13135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 141.4
[M+Na]+ 211.12057 154.0
[M+NH4]+ 206.16517 150.5
[M+K]+ 227.09451 147.9
[M-H]- 187.12407 144.1
[M+Na-2H]- 209.10602 148.3
[M]+ 188.13080 143.9
[M]- 188.13190 143.9
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