CID 3085793

2-phenyl-3,5-dioxohexanamide

Structural Information

Molecular Formula
C12H13NO3
SMILES
CC(=O)CC(=O)[C@H](C1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C12H13NO3/c1-8(14)7-10(15)11(12(13)16)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3,(H2,13,16)/t11-/m0/s1
InChIKey
MUMLRUWBPLCGKT-NSHDSACASA-N
Compound name
(2S)-3,5-dioxo-2-phenylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 149.2
[M+Na]+ 242.07876 158.2
[M+NH4]+ 237.12336 155.1
[M+K]+ 258.05270 154.7
[M-H]- 218.08226 149.3
[M+Na-2H]- 240.06421 153.2
[M]+ 219.08899 150.0
[M]- 219.09009 150.0
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.