CID 9570413

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

Structural Information

Molecular Formula
C13H15ClN2O
SMILES
C1CCN(CC1)/N=C/C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H15ClN2O/c14-12-6-4-11(5-7-12)13(17)10-15-16-8-2-1-3-9-16/h4-7,10H,1-3,8-9H2/b15-10+
InChIKey
RDTPPFFGOCEFPW-XNTDXEJSSA-N
Compound name
(2E)-1-(4-chlorophenyl)-2-piperidin-1-yliminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0873 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09458 156.0
[M+Na]+ 273.07652 161.5
[M-H]- 249.08002 161.4
[M+NH4]+ 268.12112 172.4
[M+K]+ 289.05046 157.1
[M+H-H2O]+ 233.08456 147.9
[M+HCOO]- 295.08550 172.6
[M+CH3COO]- 309.10115 195.5
[M+Na-2H]- 271.06197 160.0
[M]+ 250.08675 153.9
[M]- 250.08785 153.9
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.