CID 12017578

O-methylpsilocine

Structural Information

Molecular Formula
C13H18N2O
SMILES
CN(C)CCC1=CNC2=C1C(=CC=C2)OC
InChI
InChI=1S/C13H18N2O/c1-15(2)8-7-10-9-14-11-5-4-6-12(16-3)13(10)11/h4-6,9,14H,7-8H2,1-3H3
InChIKey
HFYHBTWTJDAYGW-UHFFFAOYSA-N
Compound name
2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

106
Patents

218.1419 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 149.3
[M+Na]+ 241.131118 158.0
[M-H]- 217.134624 153.1
[M+NH4]+ 236.175723 169.6
[M+K]+ 257.105058 155.1
[M+H-H2O]+ 201.139160 142.4
[M+HCOO]- 263.140101 173.6
[M+CH3COO]- 277.155751 193.1
[M+Na-2H]- 239.116566 154.8
[M]+ 218.14135142 153.0
[M]- 218.14244858 153.0
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