CID 28934

Methyl (2s)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate

Structural Information

Molecular Formula
C11H15NO4
SMILES
C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)OC)N
InChI
InChI=1S/C11H15NO4/c1-11(12,10(15)16-2)6-7-3-4-8(13)9(14)5-7/h3-5,13-14H,6,12H2,1-2H3/t11-/m0/s1
InChIKey
MKFJJXIMFTXSEM-NSHDSACASA-N
Compound name
methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

95
Patents

225.10011 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.107386 149.3
[M+Na]+ 248.089328 156.2
[M-H]- 224.092834 150.2
[M+NH4]+ 243.133933 165.9
[M+K]+ 264.063268 154.3
[M+H-H2O]+ 208.097370 143.9
[M+HCOO]- 270.098311 169.1
[M+CH3COO]- 284.113961 187.0
[M+Na-2H]- 246.074776 152.9
[M]+ 225.09956142 149.0
[M]- 225.10065858 149.0
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