CID 11171397

3-hydroxyornithine

Structural Information

Molecular Formula

C₅H₁₂N₂O₃

SMILES

C(CN)[C@@H]([C@@H](C(=O)O)N)O

InChI

InChI=1S/C5H12N2O3/c6-2-1-3(8)4(7)5(9)10/h3-4,8H,1-2,6-7H2,(H,9,10)/t3-,4-/m0/s1

InChIKey

UHPDQDWXMXBLRX-IMJSIDKUSA-N

Compound name

(2S,3S)-2,5-diamino-3-hydroxypentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 38
Patents: 148.0848 Da
Monoisotopic Mass: -3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	149.092076	132.7
[M+Na]+	171.074018	137.2
[M-H]-	147.077524	129.3
[M+NH4]+	166.118623	151.0
[M+K]+	187.047958	137.0
[M+H-H2O]+	131.082060	127.4
[M+HCOO]-	193.083001	152.4
[M+CH3COO]-	207.098651	175.7
[M+Na-2H]-	169.059466	133.4
[M]+	148.08425142	127.6
[M]-	148.08534858	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe