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]+ 264.19582 162.4
[M+Na]+ 286.17776 169.7
[M-H]- 262.18126 167.7
[M+NH4]+ 281.22236 182.0
[M+K]+ 302.15170 167.1
[M+H-H2O]+ 246.18580 155.4
[M+HCOO]- 308.18674 183.2
[M+CH3COO]- 322.20239 198.2
[M+Na-2H]- 284.16321 164.1
[M]+ 263.18799 165.0
[M]- 263.18909 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.