CID 121563

3-butyl-3-(3-methoxyphenyl)-1-methylpyrrolidine

Structural Information

Molecular Formula
C16H25NO
SMILES
CCCCC1(CCN(C1)C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C16H25NO/c1-4-5-9-16(10-11-17(2)13-16)14-7-6-8-15(12-14)18-3/h6-8,12H,4-5,9-11,13H2,1-3H3
InChIKey
IEHAQGYTPFWEAP-UHFFFAOYSA-N
Compound name
3-butyl-3-(3-methoxyphenyl)-1-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 160.0
[M+Na]+ 270.182838 166.5
[M-H]- 246.186344 164.9
[M+NH4]+ 265.227443 180.0
[M+K]+ 286.156778 163.3
[M+H-H2O]+ 230.190880 152.7
[M+HCOO]- 292.191821 180.6
[M+CH3COO]- 306.207471 195.1
[M+Na-2H]- 268.168286 162.2
[M]+ 247.19307142 160.7
[M]- 247.19416858 160.7
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.