CID 29935323

N-methyl-n-isopropyltryptamine

Structural Information

Molecular Formula
C14H20N2
SMILES
CC(C)N(C)CCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C14H20N2/c1-11(2)16(3)9-8-12-10-15-14-7-5-4-6-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3
InChIKey
KTQJVAJLJZIKKD-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

419
Patents

216.16264 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 151.5
[M+Na]+ 239.151858 158.7
[M-H]- 215.155364 154.8
[M+NH4]+ 234.196463 171.6
[M+K]+ 255.125798 155.5
[M+H-H2O]+ 199.159900 144.4
[M+HCOO]- 261.160841 174.3
[M+CH3COO]- 275.176491 193.8
[M+Na-2H]- 237.137306 155.9
[M]+ 216.16209142 153.1
[M]- 216.16318858 153.1
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