CID 228404

3-hydroxy-2-phenylpropanamide

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1=CC=C(C=C1)C(CO)C(=O)N
InChI
InChI=1S/C9H11NO2/c10-9(12)8(6-11)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12)
InChIKey
JJCZGVLYNIVKKD-UHFFFAOYSA-N
Compound name
3-hydroxy-2-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

14041
Patents

165.07898 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 135.1
[M+Na]+ 188.068198 140.9
[M-H]- 164.071704 136.8
[M+NH4]+ 183.112803 154.1
[M+K]+ 204.042138 139.1
[M+H-H2O]+ 148.076240 129.3
[M+HCOO]- 210.077181 157.2
[M+CH3COO]- 224.092831 177.8
[M+Na-2H]- 186.053646 139.5
[M]+ 165.07843142 132.2
[M]- 165.07952858 132.2
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