CID 45479225

N5-formyl-n5-hydroxy-l-ornithine

Structural Information

Molecular Formula
C6H12N2O4
SMILES
C(C[C@@H](C(=O)O)N)CN(C=O)O
InChI
InChI=1S/C6H12N2O4/c7-5(6(10)11)2-1-3-8(12)4-9/h4-5,12H,1-3,7H2,(H,10,11)/t5-/m0/s1
InChIKey
KORLZEIJSHHTDW-YFKPBYRVSA-N
Compound name
(2S)-2-amino-5-[formyl(hydroxy)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

176.07971 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08699 137.2
[M+Na]+ 199.06893 141.9
[M-H]- 175.07243 135.5
[M+NH4]+ 194.11353 155.3
[M+K]+ 215.04287 142.5
[M+H-H2O]+ 159.07697 131.4
[M+HCOO]- 221.07791 159.2
[M+CH3COO]- 235.09356 182.9
[M+Na-2H]- 197.05438 139.2
[M]+ 176.07916 136.2
[M]- 176.08026 136.2
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

No patent data available for this compound.