CID 102144586

4-methoxy-alpha-phpp

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCCCCC(C(=O)C1=CC=C(C=C1)OC)N2CCCC2
InChI
InChI=1S/C18H27NO2/c1-3-4-5-8-17(19-13-6-7-14-19)18(20)15-9-11-16(21-2)12-10-15/h9-12,17H,3-8,13-14H2,1-2H3
InChIKey
HYDJQOYJALXHLU-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylheptan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

289.2042 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.211476 173.4
[M+Na]+ 312.193418 176.6
[M-H]- 288.196924 177.3
[M+NH4]+ 307.238023 188.9
[M+K]+ 328.167358 173.7
[M+H-H2O]+ 272.201460 164.9
[M+HCOO]- 334.202401 191.6
[M+CH3COO]- 348.218051 203.2
[M+Na-2H]- 310.178866 171.6
[M]+ 289.20365142 173.6
[M]- 289.20474858 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe