CID 10035593

3-(3,4-dihydroxyphenyl)-2-hydroxypropanamide

Structural Information

Molecular Formula
C9H11NO4
SMILES
C1=CC(=C(C=C1CC(C(=O)N)O)O)O
InChI
InChI=1S/C9H11NO4/c10-9(14)8(13)4-5-1-2-6(11)7(12)3-5/h1-3,8,11-13H,4H2,(H2,10,14)
InChIKey
UZRUFOMXLWRIQS-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-2-hydroxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

197.0688 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 141.4
[M+Na]+ 220.05802 150.2
[M+NH4]+ 215.10262 146.9
[M+K]+ 236.03196 147.8
[M-H]- 196.06152 140.5
[M+Na-2H]- 218.04347 144.3
[M]+ 197.06825 141.9
[M]- 197.06935 141.9
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