CID 3060752

3-(3,4-dimethoxyphenyl)-1-methyl-3-propylpyrrolidine

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCCC1(CCN(C1)C)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C16H25NO2/c1-5-8-16(9-10-17(2)12-16)13-6-7-14(18-3)15(11-13)19-4/h6-7,11H,5,8-10,12H2,1-4H3
InChIKey
DVQKSGVIJSOSBV-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-1-methyl-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 162.4
[M+Na]+ 286.177758 169.7
[M-H]- 262.181264 167.7
[M+NH4]+ 281.222363 182.0
[M+K]+ 302.151698 167.1
[M+H-H2O]+ 246.185800 155.4
[M+HCOO]- 308.186741 183.2
[M+CH3COO]- 322.202391 198.2
[M+Na-2H]- 284.163206 164.1
[M]+ 263.18799142 165.0
[M]- 263.18908858 165.0
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.