CID 106860

67828-67-5

Structural Information

Molecular Formula
C9H11NO4
SMILES
COC(=O)C(C1=C(C=C(C=C1)O)O)N
InChI
InChI=1S/C9H11NO4/c1-14-9(13)8(10)6-3-2-5(11)4-7(6)12/h2-4,8,11-12H,10H2,1H3
InChIKey
HFLFOKWCOBDTCH-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(2,4-dihydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 141.1
[M+Na]+ 220.05802 150.6
[M+NH4]+ 215.10262 147.0
[M+K]+ 236.03196 147.8
[M-H]- 196.06152 140.8
[M+Na-2H]- 218.04347 144.6
[M]+ 197.06825 141.9
[M]- 197.06935 141.9
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

No patent data available for this compound.