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 157.8
[M+Na]+ 274.14137 165.1
[M-H]- 250.14487 161.5
[M+NH4]+ 269.18597 175.4
[M+K]+ 290.11531 163.0
[M+H-H2O]+ 234.14941 151.0
[M+HCOO]- 296.15035 182.6
[M+CH3COO]- 310.16600 200.0
[M+Na-2H]- 272.12682 161.6
[M]+ 251.15160 163.6
[M]- 251.15270 163.6
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.