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

literature stripe

Patent stripe

patents stripe