CID 26809

2-((3,4,5-trimethoxybenzyl)oxy)ethylamine

Structural Information

Molecular Formula
C12H19NO4
SMILES
COC1=CC(=CC(=C1OC)OC)COCCN
InChI
InChI=1S/C12H19NO4/c1-14-10-6-9(8-17-5-4-13)7-11(15-2)12(10)16-3/h6-7H,4-5,8,13H2,1-3H3
InChIKey
UBZIFFSZSWUDDM-UHFFFAOYSA-N
Compound name
2-[(3,4,5-trimethoxyphenyl)methoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 153.7
[M+Na]+ 264.12063 164.7
[M+NH4]+ 259.16523 160.4
[M+K]+ 280.09457 159.3
[M-H]- 240.12413 155.2
[M+Na-2H]- 262.10608 158.4
[M]+ 241.13086 155.5
[M]- 241.13196 155.5
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.