CID 200190

Propiophenone, 4'-nitro-3-piperidino-, hydrochloride

Structural Information

Molecular Formula
C14H18N2O3
SMILES
C1CCN(CC1)CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H18N2O3/c17-14(8-11-15-9-2-1-3-10-15)12-4-6-13(7-5-12)16(18)19/h4-7H,1-3,8-11H2
InChIKey
LWWCVLKTBXGWGW-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

262.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 160.3
[M+Na]+ 285.120958 163.1
[M-H]- 261.124464 164.4
[M+NH4]+ 280.165563 173.9
[M+K]+ 301.094898 156.5
[M+H-H2O]+ 245.129000 156.3
[M+HCOO]- 307.129941 179.6
[M+CH3COO]- 321.145591 190.2
[M+Na-2H]- 283.106406 164.7
[M]+ 262.13119142 154.8
[M]- 262.13228858 154.8
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

patents stripe