CID 3022022

1-(diethylamino)-3-(2,6-xylyl)-2-propanone

Structural Information

Molecular Formula
C15H23NO
SMILES
CCN(CC)CC(=O)CC1=C(C=CC=C1C)C
InChI
InChI=1S/C15H23NO/c1-5-16(6-2)11-14(17)10-15-12(3)8-7-9-13(15)4/h7-9H,5-6,10-11H2,1-4H3
InChIKey
RARYMXYCNAQQGV-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

233.17796 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 157.2
[M+Na]+ 256.16718 168.9
[M+NH4]+ 251.21178 165.2
[M+K]+ 272.14112 161.9
[M-H]- 232.17068 160.2
[M+Na-2H]- 254.15263 163.0
[M]+ 233.17741 159.7
[M]- 233.17851 159.7
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

patents stripe