CID 9570410

25555-27-5

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CCN(CC1)/N=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2O/c16-13(12-7-3-1-4-8-12)11-14-15-9-5-2-6-10-15/h1,3-4,7-8,11H,2,5-6,9-10H2/b14-11+
InChIKey
DUTOVJKMXFGMAZ-SDNWHVSQSA-N
Compound name
(2E)-1-phenyl-2-piperidin-1-yliminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 149.0
[M+Na]+ 239.11549 152.8
[M-H]- 215.11899 154.3
[M+NH4]+ 234.16009 165.6
[M+K]+ 255.08943 150.2
[M+H-H2O]+ 199.12353 140.2
[M+HCOO]- 261.12447 170.2
[M+CH3COO]- 275.14012 190.6
[M+Na-2H]- 237.10094 154.3
[M]+ 216.12572 144.3
[M]- 216.12682 144.3
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.