CID 824845

N-methyl-n-ethyltryptamine

Structural Information

Molecular Formula
C13H18N2
SMILES
CCN(C)CCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C13H18N2/c1-3-15(2)9-8-11-10-14-13-7-5-4-6-12(11)13/h4-7,10,14H,3,8-9H2,1-2H3
InChIKey
MYEGVMLMDWYPOA-UHFFFAOYSA-N
Compound name
N-ethyl-2-(1H-indol-3-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

202.147 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.154276 146.1
[M+Na]+ 225.136218 154.0
[M-H]- 201.139724 149.5
[M+NH4]+ 220.180823 166.8
[M+K]+ 241.110158 150.6
[M+H-H2O]+ 185.144260 139.1
[M+HCOO]- 247.145201 170.3
[M+CH3COO]- 261.160851 189.9
[M+Na-2H]- 223.121666 152.3
[M]+ 202.14645142 148.0
[M]- 202.14754858 148.0
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