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]+ 234.185236 156.9
[M+Na]+ 256.167178 162.9
[M-H]- 232.170684 161.6
[M+NH4]+ 251.211783 175.6
[M+K]+ 272.141118 161.3
[M+H-H2O]+ 216.175220 150.1
[M+HCOO]- 278.176161 180.4
[M+CH3COO]- 292.191811 202.1
[M+Na-2H]- 254.152626 158.8
[M]+ 233.17741142 160.4
[M]- 233.17850858 160.4
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