CID 9570414

Brn 1253866

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]+ 262.11861 157.5
[M+Na]+ 284.10055 160.5
[M-H]- 260.10405 163.0
[M+NH4]+ 279.14515 171.3
[M+K]+ 300.07449 154.3
[M+H-H2O]+ 244.10859 153.0
[M+HCOO]- 306.10953 179.7
[M+CH3COO]- 320.12518 193.0
[M+Na-2H]- 282.08600 163.4
[M]+ 261.11078 151.9
[M]- 261.11188 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.