CID 112794

2,5-dihydroxy-n-(2-hydroxyethyl)benzamide

Structural Information

Molecular Formula
C9H11NO4
SMILES
C1=CC(=C(C=C1O)C(=O)NCCO)O
InChI
InChI=1S/C9H11NO4/c11-4-3-10-9(14)7-5-6(12)1-2-8(7)13/h1-2,5,11-13H,3-4H2,(H,10,14)
InChIKey
YNCOLLPSNIHBGO-UHFFFAOYSA-N
Compound name
2,5-dihydroxy-N-(2-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

216
Patents

197.0688 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 141.2
[M+Na]+ 220.05802 150.8
[M+NH4]+ 215.10262 147.1
[M+K]+ 236.03196 147.3
[M-H]- 196.06152 140.8
[M+Na-2H]- 218.04347 145.0
[M]+ 197.06825 142.0
[M]- 197.06935 142.0
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