CID 200322

Pyrrolidine, 3-(p-methoxyphenyl)-1-methyl-3-propyl-

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCC1(CCN(C1)C)C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H23NO/c1-4-9-15(10-11-16(2)12-15)13-5-7-14(17-3)8-6-13/h5-8H,4,9-12H2,1-3H3
InChIKey
UIWJAQMRYDUSEK-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-1-methyl-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.185236 155.5
[M+Na]+ 256.167178 162.4
[M-H]- 232.170684 160.6
[M+NH4]+ 251.211783 176.0
[M+K]+ 272.141118 159.5
[M+H-H2O]+ 216.175220 148.4
[M+HCOO]- 278.176161 176.4
[M+CH3COO]- 292.191811 192.1
[M+Na-2H]- 254.152626 158.2
[M]+ 233.17741142 155.8
[M]- 233.17850858 155.8
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.