CID 4349265

179811-84-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

197.0688 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 140.7
[M+Na]+ 220.058018 147.8
[M-H]- 196.061524 141.7
[M+NH4]+ 215.102623 158.2
[M+K]+ 236.031958 146.3
[M+H-H2O]+ 180.066060 135.0
[M+HCOO]- 242.067001 161.6
[M+CH3COO]- 256.082651 181.5
[M+Na-2H]- 218.043466 143.1
[M]+ 197.06825142 139.5
[M]- 197.06934858 139.5
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