CID 6918732

Hydroxyisoleucine

Structural Information

Molecular Formula
C6H13NO3
SMILES
C[C@@H]([C@H](C)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t3-,4-,5-/m0/s1
InChIKey
OSCCDBFHNMXNME-YUPRTTJUSA-N
Compound name
(2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

66
References

1709
Patents

147.08954 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09682 132.6
[M+Na]+ 170.07876 138.7
[M+NH4]+ 165.12336 138.0
[M+K]+ 186.05270 137.7
[M-H]- 146.08226 129.4
[M+Na-2H]- 168.06421 132.6
[M]+ 147.08899 131.9
[M]- 147.09009 131.9
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.