CID 76522

4-hydroxy-3,5-dimethoxybenzamide

Structural Information

Molecular Formula
C9H11NO4
SMILES
COC1=CC(=CC(=C1O)OC)C(=O)N
InChI
InChI=1S/C9H11NO4/c1-13-6-3-5(9(10)12)4-7(14-2)8(6)11/h3-4,11H,1-2H3,(H2,10,12)
InChIKey
XWMSEZHMHBQVLE-UHFFFAOYSA-N
Compound name
4-hydroxy-3,5-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

74
Patents

197.0688 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 139.0
[M+Na]+ 220.05802 147.7
[M-H]- 196.06152 141.8
[M+NH4]+ 215.10262 157.6
[M+K]+ 236.03196 146.6
[M+H-H2O]+ 180.06606 133.3
[M+HCOO]- 242.06700 162.5
[M+CH3COO]- 256.08265 184.9
[M+Na-2H]- 218.04347 142.7
[M]+ 197.06825 140.9
[M]- 197.06935 140.9
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