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]+ 296.18562 169.5
[M+Na]+ 318.16756 175.4
[M-H]- 294.17106 174.3
[M+NH4]+ 313.21216 185.4
[M+K]+ 334.14150 173.8
[M+H-H2O]+ 278.17560 161.3
[M+HCOO]- 340.17654 190.6
[M+CH3COO]- 354.19219 202.8
[M+Na-2H]- 316.15301 170.1
[M]+ 295.17779 174.6
[M]- 295.17889 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.