CID 15160483

(2s)-2-amino-4-(4-hydroxyphenyl)butanoic acid

Structural Information

Molecular Formula
C10H13NO3
SMILES
C1=CC(=CC=C1CC[C@@H](C(=O)O)N)O
InChI
InChI=1S/C10H13NO3/c11-9(10(13)14)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,9,12H,3,6,11H2,(H,13,14)/t9-/m0/s1
InChIKey
LOOZZTFGSTZNRX-VIFPVBQESA-N
Compound name
(2S)-2-amino-4-(4-hydroxyphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

2882
Patents

195.08954 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 142.7
[M+Na]+ 218.07876 148.5
[M-H]- 194.08226 143.2
[M+NH4]+ 213.12336 160.0
[M+K]+ 234.05270 146.1
[M+H-H2O]+ 178.08680 136.9
[M+HCOO]- 240.08774 163.2
[M+CH3COO]- 254.10339 181.7
[M+Na-2H]- 216.06421 145.3
[M]+ 195.08899 140.1
[M]- 195.09009 140.1
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