CID 44350127

Methallylescaline

Structural Information

Molecular Formula
C14H21NO3
SMILES
CC(=C)COC1=C(C=C(C=C1OC)CCN)OC
InChI
InChI=1S/C14H21NO3/c1-10(2)9-18-14-12(16-3)7-11(5-6-15)8-13(14)17-4/h7-8H,1,5-6,9,15H2,2-4H3
InChIKey
FOXJFBFFGULACD-UHFFFAOYSA-N
Compound name
2-[3,5-dimethoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

129
Patents

251.15215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.159426 158.9
[M+Na]+ 274.141368 166.0
[M-H]- 250.144874 162.2
[M+NH4]+ 269.185973 176.1
[M+K]+ 290.115308 164.0
[M+H-H2O]+ 234.149410 152.2
[M+HCOO]- 296.150351 182.0
[M+CH3COO]- 310.166001 200.3
[M+Na-2H]- 272.126816 160.3
[M]+ 251.15160142 163.0
[M]- 251.15269858 163.0
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