CID 89025

3,5-dihydroxy-n-(2-hydroxyethyl)benzamide

Structural Information

Molecular Formula
C9H11NO4
SMILES
C1=C(C=C(C=C1O)O)C(=O)NCCO
InChI
InChI=1S/C9H11NO4/c11-2-1-10-9(14)6-3-7(12)5-8(13)4-6/h3-5,11-13H,1-2H2,(H,10,14)
InChIKey
HBICMRZCQLNXRU-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-N-(2-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

197.0688 Da
Monoisotopic Mass

0.3
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

No literature data available for this compound.

Patent stripe

patents stripe