CID 2802903

27385-45-1

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CC(=NNC2=CC=CC=C2)CC(=O)C1
InChI
InChI=1S/C12H14N2O/c15-12-8-4-7-11(9-12)14-13-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2
InChIKey
ASBKHKGFGCNQJB-UHFFFAOYSA-N
Compound name
3-(phenylhydrazinylidene)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

202.11061 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 145.8
[M+Na]+ 225.09983 157.4
[M+NH4]+ 220.14443 154.9
[M+K]+ 241.07377 149.7
[M-H]- 201.10333 151.5
[M+Na-2H]- 223.08528 154.4
[M]+ 202.11006 148.9
[M]- 202.11116 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe