CID 20096599

79499-56-2

Structural Information

Molecular Formula
C13H14ClNO
SMILES
CNC1(CCC=CC1=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C13H14ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-4,6-8,15H,5,9H2,1H3
InChIKey
AXCYPPLSMIAAHW-UHFFFAOYSA-N
Compound name
6-(2-chlorophenyl)-6-(methylamino)cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

235.07639 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08367 150.6
[M+Na]+ 258.06561 165.0
[M+NH4]+ 253.11021 161.7
[M+K]+ 274.03955 154.6
[M-H]- 234.06911 156.0
[M+Na-2H]- 256.05106 161.2
[M]+ 235.07584 154.7
[M]- 235.07694 154.7
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

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