CID 12541433

3-oxo-2-phenylbutanamide

Structural Information

Molecular Formula
C10H11NO2
SMILES
CC(=O)C(C1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C10H11NO2/c1-7(12)9(10(11)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,11,13)
InChIKey
FBISRXJSJBLOHX-UHFFFAOYSA-N
Compound name
3-oxo-2-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

177.07898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 138.4
[M+Na]+ 200.06820 148.7
[M+NH4]+ 195.11280 145.8
[M+K]+ 216.04214 144.4
[M-H]- 176.07170 139.7
[M+Na-2H]- 198.05365 143.9
[M]+ 177.07843 139.9
[M]- 177.07953 139.9
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