CID 37708

Diacetoxy l-dopa hydrochloride

Structural Information

Molecular Formula
C13H15NO6
SMILES
C1=CC(=C(C=C1CC(C(=O)O)N)CC(=O)O)CC(=O)O
InChI
InChI=1S/C13H15NO6/c14-10(13(19)20)4-7-1-2-8(5-11(15)16)9(3-7)6-12(17)18/h1-3,10H,4-6,14H2,(H,15,16)(H,17,18)(H,19,20)
InChIKey
NKFMNXWFVKKPIJ-UHFFFAOYSA-N
Compound name
2-amino-3-[3,4-bis(carboxymethyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08994 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09722 162.5
[M+Na]+ 304.07916 168.9
[M+NH4]+ 299.12376 165.3
[M+K]+ 320.05310 168.2
[M-H]- 280.08266 159.5
[M+Na-2H]- 302.06461 162.5
[M]+ 281.08939 161.7
[M]- 281.09049 161.7
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.