CID 77719

Methyl 4-acetamido-2-hydroxybenzoate

Structural Information

Molecular Formula
C10H11NO4
SMILES
CC(=O)NC1=CC(=C(C=C1)C(=O)OC)O
InChI
InChI=1S/C10H11NO4/c1-6(12)11-7-3-4-8(9(13)5-7)10(14)15-2/h3-5,13H,1-2H3,(H,11,12)
InChIKey
LCXHOHRQXZMSQN-UHFFFAOYSA-N
Compound name
methyl 4-acetamido-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

148
Patents

209.0688 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 144.2
[M+Na]+ 232.05802 154.4
[M+NH4]+ 227.10262 150.3
[M+K]+ 248.03196 150.8
[M-H]- 208.06152 144.4
[M+Na-2H]- 230.04347 148.5
[M]+ 209.06825 145.3
[M]- 209.06935 145.3
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