CID 9794338

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

Structural Information

Molecular Formula
C10H13NO4
SMILES
C1=CC(=CC(=C1)O)C(CC(C(=O)O)N)O
InChI
InChI=1S/C10H13NO4/c11-8(10(14)15)5-9(13)6-2-1-3-7(12)4-6/h1-4,8-9,12-13H,5,11H2,(H,14,15)
InChIKey
APPLEPDDBNLZPX-UHFFFAOYSA-N
Compound name
2-amino-4-hydroxy-4-(3-hydroxyphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

211.08446 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09174 146.1
[M+Na]+ 234.07368 151.1
[M-H]- 210.07718 145.2
[M+NH4]+ 229.11828 161.8
[M+K]+ 250.04762 149.1
[M+H-H2O]+ 194.08172 140.3
[M+HCOO]- 256.08266 164.2
[M+CH3COO]- 270.09831 182.7
[M+Na-2H]- 232.05913 147.0
[M]+ 211.08391 142.5
[M]- 211.08501 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe