CID 59000

5-acetyl-beta-methyltryptamine hydrochloride

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC(CN)C1=CNC2=C1C=C(C=C2)C(=O)C
InChI
InChI=1S/C13H16N2O/c1-8(6-14)12-7-15-13-4-3-10(9(2)16)5-11(12)13/h3-5,7-8,15H,6,14H2,1-2H3
InChIKey
RGBKOGMTVSJIDG-UHFFFAOYSA-N
Compound name
1-[3-(1-aminopropan-2-yl)-1H-indol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 149.6
[M+Na]+ 239.11549 157.9
[M-H]- 215.11899 151.6
[M+NH4]+ 234.16009 168.8
[M+K]+ 255.08943 153.7
[M+H-H2O]+ 199.12353 143.3
[M+HCOO]- 261.12447 170.9
[M+CH3COO]- 275.14012 190.0
[M+Na-2H]- 237.10094 152.4
[M]+ 216.12572 149.1
[M]- 216.12682 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.