CID 200093

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

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCOC1=CC=C(C=C1)C(=O)CCN2CCCC2
InChI
InChI=1S/C16H23NO2/c1-2-13-19-15-7-5-14(6-8-15)16(18)9-12-17-10-3-4-11-17/h5-8H,2-4,9-13H2,1H3
InChIKey
STSFGOHIWRJGEE-UHFFFAOYSA-N
Compound name
1-(4-propoxyphenyl)-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

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 164.0
[M+Na]+ 284.16210 168.3
[M-H]- 260.16560 168.2
[M+NH4]+ 279.20670 180.7
[M+K]+ 300.13604 165.4
[M+H-H2O]+ 244.17014 155.7
[M+HCOO]- 306.17108 183.9
[M+CH3COO]- 320.18673 196.4
[M+Na-2H]- 282.14755 164.4
[M]+ 261.17233 164.0
[M]- 261.17343 164.0
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.