CID 52911279

Cyclohexanone, 2-(ethylamino)-2-(3-methoxyphenyl)-

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCNC1(CCCCC1=O)C2=CC(=CC=C2)OC
InChI
InChI=1S/C15H21NO2/c1-3-16-15(10-5-4-9-14(15)17)12-7-6-8-13(11-12)18-2/h6-8,11,16H,3-5,9-10H2,1-2H3
InChIKey
LPKTWLVEGBNOOX-UHFFFAOYSA-N
Compound name
2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

80
References

589
Patents

247.15723 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 157.2
[M+Na]+ 270.146448 162.5
[M-H]- 246.149954 163.3
[M+NH4]+ 265.191053 176.0
[M+K]+ 286.120388 159.8
[M+H-H2O]+ 230.154490 150.2
[M+HCOO]- 292.155431 178.6
[M+CH3COO]- 306.171081 196.0
[M+Na-2H]- 268.131896 161.9
[M]+ 247.15668142 154.9
[M]- 247.15777858 154.9
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