CID 7029

Diethylpropion

Structural Information

Molecular Formula
C13H19NO
SMILES
CCN(CC)C(C)C(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
InChIKey
XXEPPPIWZFICOJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

382
References

39376
Patents

205.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 149.0
[M+Na]+ 228.13589 160.0
[M+NH4]+ 223.18049 157.3
[M+K]+ 244.10983 153.9
[M-H]- 204.13939 151.7
[M+Na-2H]- 226.12134 155.4
[M]+ 205.14612 151.3
[M]- 205.14722 151.3
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