CID 12107

Refchem:164119

Structural Information

Molecular Formula
C9H11NO
SMILES
CCC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
InChIKey
ZTHRQJQJODGZHV-UHFFFAOYSA-N
Compound name
N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

18
References

4880
Patents

149.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.6
[M+Na]+ 172.07328 137.3
[M-H]- 148.07678 134.3
[M+NH4]+ 167.11788 151.5
[M+K]+ 188.04722 135.7
[M+H-H2O]+ 132.08132 124.7
[M+HCOO]- 194.08226 155.7
[M+CH3COO]- 208.09791 177.4
[M+Na-2H]- 170.05873 137.9
[M]+ 149.08351 129.8
[M]- 149.08461 129.8
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.