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

27
Patents

262.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 159.0
[M+Na]+ 285.12096 171.0
[M+NH4]+ 280.16556 166.4
[M+K]+ 301.09490 167.1
[M-H]- 261.12446 163.2
[M+Na-2H]- 283.10641 165.3
[M]+ 262.13119 161.6
[M]- 262.13229 161.6
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

patents stripe