CID 78292238

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

Structural Information

Molecular Formula
C9H11NO4
SMILES
C1=CC(=CC=C1C(C(C(=O)O)O)N)O
InChI
InChI=1S/C9H11NO4/c10-7(8(12)9(13)14)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)
InChIKey
RBQLWCYGJBVELX-UHFFFAOYSA-N
Compound name
3-amino-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0688 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 141.6
[M+Na]+ 220.058018 146.9
[M-H]- 196.061524 140.8
[M+NH4]+ 215.102623 157.8
[M+K]+ 236.031958 145.1
[M+H-H2O]+ 180.066060 135.9
[M+HCOO]- 242.067001 160.0
[M+CH3COO]- 256.082651 179.7
[M+Na-2H]- 218.043466 142.9
[M]+ 197.06825142 137.5
[M]- 197.06934858 137.5
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

No patent data available for this compound.