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]+ 198.07608 140.7
[M+Na]+ 220.05802 147.8
[M-H]- 196.06152 141.7
[M+NH4]+ 215.10262 158.2
[M+K]+ 236.03196 146.3
[M+H-H2O]+ 180.06606 135.0
[M+HCOO]- 242.06700 161.6
[M+CH3COO]- 256.08265 181.5
[M+Na-2H]- 218.04347 143.1
[M]+ 197.06825 139.5
[M]- 197.06935 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