CID 77719

4093-28-1

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

164
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 142.8
[M+Na]+ 232.05802 150.3
[M-H]- 208.06152 145.7
[M+NH4]+ 227.10262 160.9
[M+K]+ 248.03196 149.3
[M+H-H2O]+ 192.06606 136.9
[M+HCOO]- 254.06700 165.9
[M+CH3COO]- 268.08265 186.0
[M+Na-2H]- 230.04347 146.5
[M]+ 209.06825 144.1
[M]- 209.06935 144.1
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