CID 200322

1507-82-0

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]+ 234.18524 155.5
[M+Na]+ 256.16718 162.4
[M-H]- 232.17068 160.6
[M+NH4]+ 251.21178 176.0
[M+K]+ 272.14112 159.5
[M+H-H2O]+ 216.17522 148.4
[M+HCOO]- 278.17616 176.4
[M+CH3COO]- 292.19181 192.1
[M+Na-2H]- 254.15263 158.2
[M]+ 233.17741 155.8
[M]- 233.17851 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.