CID 3046363

N-allylmescaline hydrochloride

Structural Information

Molecular Formula
C14H21NO3
SMILES
COC1=CC(=CC(=C1OC)OC)CCNCC=C
InChI
InChI=1S/C14H21NO3/c1-5-7-15-8-6-11-9-12(16-2)14(18-4)13(10-11)17-3/h5,9-10,15H,1,6-8H2,2-4H3
InChIKey
KEUUJKBDXNQWAY-UHFFFAOYSA-N
Compound name
N-[2-(3,4,5-trimethoxyphenyl)ethyl]prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 158.7
[M+Na]+ 274.14137 170.2
[M+NH4]+ 269.18597 165.6
[M+K]+ 290.11531 163.4
[M-H]- 250.14487 160.6
[M+Na-2H]- 272.12682 163.7
[M]+ 251.15160 160.7
[M]- 251.15270 160.7
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.