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]+ 264.15941 160.7
[M+Na]+ 286.14135 168.3
[M-H]- 262.14485 166.2
[M+NH4]+ 281.18595 178.2
[M+K]+ 302.11529 166.1
[M+H-H2O]+ 246.14939 152.9
[M+HCOO]- 308.15033 183.4
[M+CH3COO]- 322.16598 197.4
[M+Na-2H]- 284.12680 162.7
[M]+ 263.15158 165.5
[M]- 263.15268 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.