CID 223465

2-phenylpropanamide

Structural Information

Molecular Formula
C9H11NO
SMILES
CC(C1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C9H11NO/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,10,11)
InChIKey
DOZZSWAOPDYVLH-UHFFFAOYSA-N
Compound name
2-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2718
Patents

149.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 131.4
[M+Na]+ 172.07328 137.7
[M-H]- 148.07678 134.6
[M+NH4]+ 167.11788 151.9
[M+K]+ 188.04722 136.3
[M+H-H2O]+ 132.08132 125.6
[M+HCOO]- 194.08226 154.8
[M+CH3COO]- 208.09791 178.3
[M+Na-2H]- 170.05873 136.4
[M]+ 149.08351 129.0
[M]- 149.08461 129.0
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