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 160.3
[M+Na]+ 285.12096 163.1
[M-H]- 261.12446 164.4
[M+NH4]+ 280.16556 173.9
[M+K]+ 301.09490 156.5
[M+H-H2O]+ 245.12900 156.3
[M+HCOO]- 307.12994 179.6
[M+CH3COO]- 321.14559 190.2
[M+Na-2H]- 283.10641 164.7
[M]+ 262.13119 154.8
[M]- 262.13229 154.9
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