CID 86289231

(3s)-3-hydroxy-l-lysine(1+)

Structural Information

Molecular Formula
C6H14N2O3
SMILES
C(C[C@@H]([C@@H](C(=O)O)N)O)CN
InChI
InChI=1S/C6H14N2O3/c7-3-1-2-4(9)5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5-/m0/s1
InChIKey
YSVMULOOWPBERR-WHFBIAKZSA-N
Compound name
(2S,3S)-2,6-diamino-3-hydroxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

162.10045 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.10773 137.3
[M+Na]+ 185.08967 141.3
[M-H]- 161.09317 133.6
[M+NH4]+ 180.13427 155.0
[M+K]+ 201.06361 140.8
[M+H-H2O]+ 145.09771 131.8
[M+HCOO]- 207.09865 156.6
[M+CH3COO]- 221.11430 178.7
[M+Na-2H]- 183.07512 137.5
[M]+ 162.09990 132.5
[M]- 162.10100 132.5
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