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]+ 177.086986 137.2
[M+Na]+ 199.068928 141.9
[M-H]- 175.072434 135.5
[M+NH4]+ 194.113533 155.3
[M+K]+ 215.042868 142.5
[M+H-H2O]+ 159.076970 131.4
[M+HCOO]- 221.077911 159.2
[M+CH3COO]- 235.093561 182.9
[M+Na-2H]- 197.054376 139.2
[M]+ 176.07916142 136.2
[M]- 176.08025858 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.