CID 11171397

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

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

34
Patents

148.0848 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09208 132.7
[M+Na]+ 171.07402 137.2
[M-H]- 147.07752 129.3
[M+NH4]+ 166.11862 151.0
[M+K]+ 187.04796 137.0
[M+H-H2O]+ 131.08206 127.4
[M+HCOO]- 193.08300 152.4
[M+CH3COO]- 207.09865 175.7
[M+Na-2H]- 169.05947 133.4
[M]+ 148.08425 127.6
[M]- 148.08535 127.6
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