CID 200317

Pyrrolidine, 1,2-dimethyl-3-(m-methoxyphenyl)-3-propyl-

Structural Information

Molecular Formula
C16H25NO
SMILES
CCCC1(CCN(C1C)C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C16H25NO/c1-5-9-16(10-11-17(3)13(16)2)14-7-6-8-15(12-14)18-4/h6-8,12-13H,5,9-11H2,1-4H3
InChIKey
UJSDWXCSENYRMK-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1,2-dimethyl-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

247.19362 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 159.1
[M+Na]+ 270.182838 166.5
[M-H]- 246.186344 164.4
[M+NH4]+ 265.227443 179.4
[M+K]+ 286.156778 163.4
[M+H-H2O]+ 230.190880 152.2
[M+HCOO]- 292.191821 179.8
[M+CH3COO]- 306.207471 196.2
[M+Na-2H]- 268.168286 160.7
[M]+ 247.19307142 160.3
[M]- 247.19416858 160.3
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

patents stripe