CID 3056752

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

Structural Information

Molecular Formula
C18H27NO2
SMILES
CC(C)CCOC1=CC=C(C=C1)C(=O)CCN2CCCC2
InChI
InChI=1S/C18H27NO2/c1-15(2)10-14-21-17-7-5-16(6-8-17)18(20)9-13-19-11-3-4-12-19/h5-8,15H,3-4,9-14H2,1-2H3
InChIKey
JNYKFTVCHRKEMJ-UHFFFAOYSA-N
Compound name
1-[4-(3-methylbutoxy)phenyl]-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

3.7
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.