CID 15429212

O-acetylpsilocin

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₂

SMILES

CC(=O)OC1=CC=CC2=C1C(=CN2)CCN(C)C

InChI

InChI=1S/C14H18N2O2/c1-10(17)18-13-6-4-5-12-14(13)11(9-15-12)7-8-16(2)3/h4-6,9,15H,7-8H2,1-3H3

InChIKey

RTLRUOSYLFOFHV-UHFFFAOYSA-N

Compound name

[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 465
Patents: 246.13683 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.14411	156.7
[M+Na]+	269.12605	164.9
[M-H]-	245.12955	160.4
[M+NH4]+	264.17065	175.6
[M+K]+	285.09999	162.3
[M+H-H2O]+	229.13409	149.6
[M+HCOO]-	291.13503	180.0
[M+CH3COO]-	305.15068	197.5
[M+Na-2H]-	267.11150	160.5
[M]+	246.13628	160.7
[M]-	246.13738	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe