CID 3056758

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

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC(C)OC1=CC=C(C=C1)C(=O)CCN2CCCC2
InChI
InChI=1S/C16H23NO2/c1-13(2)19-15-7-5-14(6-8-15)16(18)9-12-17-10-3-4-11-17/h5-8,13H,3-4,9-12H2,1-2H3
InChIKey
JYZMZJGWGLNELX-UHFFFAOYSA-N
Compound name
1-(4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 164.2
[M+Na]+ 284.162098 168.3
[M-H]- 260.165604 168.5
[M+NH4]+ 279.206703 180.8
[M+K]+ 300.136038 165.9
[M+H-H2O]+ 244.170140 156.1
[M+HCOO]- 306.171081 183.1
[M+CH3COO]- 320.186731 197.2
[M+Na-2H]- 282.147546 163.5
[M]+ 261.17233142 163.7
[M]- 261.17342858 163.7
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.