CID 91820298

5,5-dihydroxyleucine

Structural Information

Molecular Formula
C6H13NO4
SMILES
C[C@H](C[C@@H](C(=O)O)N)C(O)O
InChI
InChI=1S/C6H13NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-5,8-9H,2,7H2,1H3,(H,10,11)/t3-,4+/m1/s1
InChIKey
XUCOLQITPSNBGF-DMTCNVIQSA-N
Compound name
(2S,4R)-2-amino-5,5-dihydroxy-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

163.08446 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.09174 135.7
[M+Na]+ 186.07368 140.7
[M+NH4]+ 181.11828 140.1
[M+K]+ 202.04762 140.6
[M-H]- 162.07718 131.4
[M+Na-2H]- 184.05913 134.6
[M]+ 163.08391 134.3
[M]- 163.08501 134.3
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

No patent data available for this compound.