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

12827
Patents

165.07898 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 135.1
[M+Na]+ 188.06820 140.9
[M-H]- 164.07170 136.8
[M+NH4]+ 183.11280 154.1
[M+K]+ 204.04214 139.1
[M+H-H2O]+ 148.07624 129.3
[M+HCOO]- 210.07718 157.2
[M+CH3COO]- 224.09283 177.8
[M+Na-2H]- 186.05365 139.5
[M]+ 165.07843 132.2
[M]- 165.07953 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