CID 9570414

Acetophenone, 4'-nitro-2-(piperidinoimino)-

Structural Information

Molecular Formula
C13H15N3O3
SMILES
C1CCN(CC1)/N=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H15N3O3/c17-13(10-14-15-8-2-1-3-9-15)11-4-6-12(7-5-11)16(18)19/h4-7,10H,1-3,8-9H2/b14-10+
InChIKey
UIUAGFSGKHCAHV-GXDHUFHOSA-N
Compound name
(2E)-1-(4-nitrophenyl)-2-piperidin-1-yliminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.11133 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.118606 157.5
[M+Na]+ 284.100548 160.5
[M-H]- 260.104054 163.0
[M+NH4]+ 279.145153 171.3
[M+K]+ 300.074488 154.3
[M+H-H2O]+ 244.108590 153.0
[M+HCOO]- 306.109531 179.7
[M+CH3COO]- 320.125181 193.0
[M+Na-2H]- 282.085996 163.4
[M]+ 261.11078142 151.9
[M]- 261.11187858 151.9
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

No patent data available for this compound.