CID 202924

Pyrrolidine, 1-(2-((3,4,5-trimethoxybenzyl)oxy)ethyl)-

Structural Information

Molecular Formula
C16H25NO4
SMILES
COC1=CC(=CC(=C1OC)OC)COCCN2CCCC2
InChI
InChI=1S/C16H25NO4/c1-18-14-10-13(11-15(19-2)16(14)20-3)12-21-9-8-17-6-4-5-7-17/h10-11H,4-9,12H2,1-3H3
InChIKey
CAITWASTFPOMSU-UHFFFAOYSA-N
Compound name
1-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.17834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.185616 169.5
[M+Na]+ 318.167558 175.4
[M-H]- 294.171064 174.3
[M+NH4]+ 313.212163 185.4
[M+K]+ 334.141498 173.8
[M+H-H2O]+ 278.175600 161.3
[M+HCOO]- 340.176541 190.6
[M+CH3COO]- 354.192191 202.8
[M+Na-2H]- 316.153006 170.1
[M]+ 295.17779142 174.6
[M]- 295.17888858 174.6
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.