CID 66749

3-(diethylamino)-1-phenylpropan-1-one

Structural Information

Molecular Formula
C13H19NO
SMILES
CCN(CC)CCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H19NO/c1-3-14(4-2)11-10-13(15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey
YZTCGYARZGKANI-UHFFFAOYSA-N
Compound name
3-(diethylamino)-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

85
Patents

205.14667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 149.1
[M+Na]+ 228.135888 154.1
[M-H]- 204.139394 153.4
[M+NH4]+ 223.180493 168.3
[M+K]+ 244.109828 152.9
[M+H-H2O]+ 188.143930 142.1
[M+HCOO]- 250.144871 173.3
[M+CH3COO]- 264.160521 193.8
[M+Na-2H]- 226.121336 153.4
[M]+ 205.14612142 151.1
[M]- 205.14721858 151.1
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

No patent data available for this compound.