CID 53945768

(2s,3r)-3-amino-2-hydroxy-4-phenylbutanamidehydrochloride

Structural Information

Molecular Formula
C10H14N2O2
SMILES
C1=CC=C(C=C1)C[C@H]([C@@H](C(=O)N)O)N
InChI
InChI=1S/C10H14N2O2/c11-8(9(13)10(12)14)6-7-4-2-1-3-5-7/h1-5,8-9,13H,6,11H2,(H2,12,14)/t8-,9+/m1/s1
InChIKey
JAYYJZZOYTVNHH-BDAKNGLRSA-N
Compound name
(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

194.10553 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 144.3
[M+Na]+ 217.09475 148.5
[M-H]- 193.09825 145.2
[M+NH4]+ 212.13935 161.3
[M+K]+ 233.06869 146.6
[M+H-H2O]+ 177.10279 137.7
[M+HCOO]- 239.10373 165.4
[M+CH3COO]- 253.11938 186.4
[M+Na-2H]- 215.08020 146.0
[M]+ 194.10498 139.3
[M]- 194.10608 139.3
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