CID 21473

4,5,6-trimethoxytryptamine

Structural Information

Molecular Formula
C13H18N2O3
SMILES
COC1=C(C(=C2C(=C1)NC=C2CCN)OC)OC
InChI
InChI=1S/C13H18N2O3/c1-16-10-6-9-11(8(4-5-14)7-15-9)13(18-3)12(10)17-2/h6-7,15H,4-5,14H2,1-3H3
InChIKey
MEHYOLHJCSYBTI-UHFFFAOYSA-N
Compound name
2-(4,5,6-trimethoxy-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

250.13174 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 155.3
[M+Na]+ 273.12096 165.4
[M-H]- 249.12446 157.8
[M+NH4]+ 268.16556 173.8
[M+K]+ 289.09490 162.0
[M+H-H2O]+ 233.12900 148.8
[M+HCOO]- 295.12994 178.8
[M+CH3COO]- 309.14559 195.8
[M+Na-2H]- 271.10641 159.2
[M]+ 250.13119 160.4
[M]- 250.13229 160.4
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