CID 15594562

2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid

Structural Information

Molecular Formula
C10H13NO4
SMILES
COC1=CC=C(C=C1)C(C(C(=O)O)N)O
InChI
InChI=1S/C10H13NO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)
InChIKey
YEMITEDRQMFNKS-UHFFFAOYSA-N
Compound name
2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

211.08446 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.091736 145.6
[M+Na]+ 234.073678 151.0
[M-H]- 210.077184 146.1
[M+NH4]+ 229.118283 162.1
[M+K]+ 250.047618 149.8
[M+H-H2O]+ 194.081720 139.6
[M+HCOO]- 256.082661 165.3
[M+CH3COO]- 270.098311 184.9
[M+Na-2H]- 232.059126 147.0
[M]+ 211.08391142 143.8
[M]- 211.08500858 143.8
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