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]+ 198.07608 141.6
[M+Na]+ 220.05802 146.9
[M-H]- 196.06152 140.8
[M+NH4]+ 215.10262 157.8
[M+K]+ 236.03196 145.1
[M+H-H2O]+ 180.06606 135.9
[M+HCOO]- 242.06700 160.0
[M+CH3COO]- 256.08265 179.7
[M+Na-2H]- 218.04347 142.9
[M]+ 197.06825 137.5
[M]- 197.06935 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.