CID 3056791

Propiophenone, 4'-pentyloxy-3-pyrrolidinyl-, hydrochloride

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCCCCOC1=CC=C(C=C1)C(=O)CCN2CCCC2
InChI
InChI=1S/C18H27NO2/c1-2-3-6-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-4-5-13-19/h7-10H,2-6,11-15H2,1H3
InChIKey
JAWIZCTWKGIILM-UHFFFAOYSA-N
Compound name
1-(4-pentoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 173.1
[M+Na]+ 312.19342 176.6
[M-H]- 288.19692 176.9
[M+NH4]+ 307.23802 188.6
[M+K]+ 328.16736 173.2
[M+H-H2O]+ 272.20146 164.4
[M+HCOO]- 334.20240 192.3
[M+CH3COO]- 348.21805 202.3
[M+Na-2H]- 310.17887 172.5
[M]+ 289.20365 173.9
[M]- 289.20475 173.9
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.