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

225
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 140.3
[M+Na]+ 220.05802 147.2
[M-H]- 196.06152 140.3
[M+NH4]+ 215.10262 157.4
[M+K]+ 236.03196 144.7
[M+H-H2O]+ 180.06606 134.7
[M+HCOO]- 242.06700 161.4
[M+CH3COO]- 256.08265 178.8
[M+Na-2H]- 218.04347 144.6
[M]+ 197.06825 138.9
[M]- 197.06935 138.9
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