CID 10624

Psilocybin

Structural Information

Molecular Formula
C12H17N2O4P
SMILES
CN(C)CCC1=CNC2=C1C(=CC=C2)OP(=O)(O)O
InChI
InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)
InChIKey
QVDSEJDULKLHCG-UHFFFAOYSA-N
Compound name
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1567
References

8683
Patents

284.0926 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.099876 164.1
[M+Na]+ 307.081818 171.3
[M-H]- 283.085324 164.1
[M+NH4]+ 302.126423 180.3
[M+K]+ 323.055758 169.0
[M+H-H2O]+ 267.089860 155.5
[M+HCOO]- 329.090801 189.6
[M+CH3COO]- 343.106451 198.2
[M+Na-2H]- 305.067266 166.6
[M]+ 284.09205142 167.5
[M]- 284.09314858 167.5
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