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]+ 221.113206 149.6
[M+Na]+ 243.095148 152.7
[M-H]- 219.098654 146.1
[M+NH4]+ 238.139753 165.0
[M+K]+ 259.069088 153.2
[M+H-H2O]+ 203.103190 143.4
[M+HCOO]- 265.104131 168.6
[M+CH3COO]- 279.119781 189.2
[M+Na-2H]- 241.080596 148.9
[M]+ 220.10538142 148.1
[M]- 220.10647858 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.