CID 4651510

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

Structural Information

Molecular Formula
C10H13NO3
SMILES
CC1=CC(=C(C=C1)CC(C(=O)O)N)O
InChI
InChI=1S/C10H13NO3/c1-6-2-3-7(9(12)4-6)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)
InChIKey
LYZUELBLUFTYAN-UHFFFAOYSA-N
Compound name
2-amino-3-(2-hydroxy-4-methylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

195.08954 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 142.4
[M+Na]+ 218.07876 149.1
[M-H]- 194.08226 143.2
[M+NH4]+ 213.12336 160.0
[M+K]+ 234.05270 146.8
[M+H-H2O]+ 178.08680 136.8
[M+HCOO]- 240.08774 162.8
[M+CH3COO]- 254.10339 183.0
[M+Na-2H]- 216.06421 144.2
[M]+ 195.08899 140.2
[M]- 195.09009 140.2
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