CID 16184

5-methoxy-n-methyltryptamine

Structural Information

Molecular Formula
C12H16N2O
SMILES
CNCCC1=CNC2=C1C=C(C=C2)OC
InChI
InChI=1S/C12H16N2O/c1-13-6-5-9-8-14-12-4-3-10(15-2)7-11(9)12/h3-4,7-8,13-14H,5-6H2,1-2H3
InChIKey
NFDDCRIHMZGWBP-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

216
Patents

204.12627 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 144.6
[M+Na]+ 227.11549 157.1
[M+NH4]+ 222.16009 153.2
[M+K]+ 243.08943 151.7
[M-H]- 203.11899 146.8
[M+Na-2H]- 225.10094 150.8
[M]+ 204.12572 146.9
[M]- 204.12682 146.9
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