CID 45479675

3-[4-amino-3-hydroxybutyl]-hydroxy-carbamoyl-propanoate

Structural Information

Molecular Formula
C8H16N2O5
SMILES
C(CN(C(=O)CCC(=O)O)O)[C@@H](CN)O
InChI
InChI=1S/C8H16N2O5/c9-5-6(11)3-4-10(15)7(12)1-2-8(13)14/h6,11,15H,1-5,9H2,(H,13,14)/t6-/m0/s1
InChIKey
URHGTJHSHKLWGZ-LURJTMIESA-N
Compound name
4-[[(3S)-4-amino-3-hydroxybutyl]-hydroxyamino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

220.10593 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11321 149.6
[M+Na]+ 243.09515 152.7
[M-H]- 219.09865 146.1
[M+NH4]+ 238.13975 165.0
[M+K]+ 259.06909 153.2
[M+H-H2O]+ 203.10319 143.4
[M+HCOO]- 265.10413 168.6
[M+CH3COO]- 279.11978 189.2
[M+Na-2H]- 241.08060 148.9
[M]+ 220.10538 148.1
[M]- 220.10648 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.