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

29
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 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

No literature data available for this compound.

Patent stripe

patents stripe