CID 217426

38913-01-8

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCOC1(CCN(C1)C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C14H21NO2/c1-4-17-14(8-9-15(2)11-14)12-6-5-7-13(10-12)16-3/h5-7,10H,4,8-9,11H2,1-3H3
InChIKey
CWSAQPAZQIOSTG-UHFFFAOYSA-N
Compound name
3-ethoxy-3-(3-methoxyphenyl)-1-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 154.1
[M+Na]+ 258.14645 161.3
[M-H]- 234.14995 159.4
[M+NH4]+ 253.19105 174.5
[M+K]+ 274.12039 159.3
[M+H-H2O]+ 218.15449 147.1
[M+HCOO]- 280.15543 175.6
[M+CH3COO]- 294.17108 191.1
[M+Na-2H]- 256.13190 157.5
[M]+ 235.15668 155.6
[M]- 235.15778 155.6
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.