CID 49852350

N,n-dihydroxy-l-isoleucinate

Structural Information

Molecular Formula
C6H13NO4
SMILES
CC[C@H](C)[C@@H](C(=O)O)N(O)O
InChI
InChI=1S/C6H13NO4/c1-3-4(2)5(6(8)9)7(10)11/h4-5,10-11H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKey
SCCQCCCXSLYFHJ-WHFBIAKZSA-N
Compound name
(2S,3S)-2-(dihydroxyamino)-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

194
Patents

163.08446 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.09174 135.1
[M+Na]+ 186.07368 141.0
[M+NH4]+ 181.11828 140.1
[M+K]+ 202.04762 140.4
[M-H]- 162.07718 131.6
[M+Na-2H]- 184.05913 135.1
[M]+ 163.08391 134.2
[M]- 163.08501 134.2
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