CID 6089

N,n-dimethyltryptamine

Structural Information

Molecular Formula
C12H16N2
SMILES
CN(C)CCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKey
DMULVCHRPCFFGV-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

556
References

3602
Patents

188.13135 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 141.4
[M+Na]+ 211.12057 149.8
[M-H]- 187.12407 144.9
[M+NH4]+ 206.16517 162.7
[M+K]+ 227.09451 146.6
[M+H-H2O]+ 171.12861 134.6
[M+HCOO]- 233.12955 165.9
[M+CH3COO]- 247.14520 186.9
[M+Na-2H]- 209.10602 148.2
[M]+ 188.13080 143.0
[M]- 188.13190 143.0
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