CID 3046365

3-pyrroline, 1-(2-(3,4,5-trimethoxyphenyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C15H21NO3
SMILES
COC1=CC(=CC(=C1OC)OC)CCN2CC=CC2
InChI
InChI=1S/C15H21NO3/c1-17-13-10-12(6-9-16-7-4-5-8-16)11-14(18-2)15(13)19-3/h4-5,10-11H,6-9H2,1-3H3
InChIKey
AKDGIMIIYKLFLT-UHFFFAOYSA-N
Compound name
1-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,5-dihydropyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 160.7
[M+Na]+ 286.141348 168.3
[M-H]- 262.144854 166.2
[M+NH4]+ 281.185953 178.2
[M+K]+ 302.115288 166.1
[M+H-H2O]+ 246.149390 152.9
[M+HCOO]- 308.150331 183.4
[M+CH3COO]- 322.165981 197.4
[M+Na-2H]- 284.126796 162.7
[M]+ 263.15158142 165.5
[M]- 263.15267858 165.5
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.