CID 445614

Xylose-derived lactam oxime

Structural Information

Molecular Formula
C5H10N2O4
SMILES
C1[C@H]([C@@H]([C@H](C(=N1)NO)O)O)O
InChI
InChI=1S/C5H10N2O4/c8-2-1-6-5(7-11)4(10)3(2)9/h2-4,8-11H,1H2,(H,6,7)/t2-,3+,4-/m1/s1
InChIKey
JDBSITHMKSTORG-FLRLBIABSA-N
Compound name
(3R,4S,5S)-6-(hydroxyamino)-2,3,4,5-tetrahydropyridine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.06406 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07134 131.8
[M+Na]+ 185.05328 138.9
[M-H]- 161.05678 129.2
[M+NH4]+ 180.09788 148.5
[M+K]+ 201.02722 136.7
[M+H-H2O]+ 145.06132 126.4
[M+HCOO]- 207.06226 149.2
[M+CH3COO]- 221.07791 169.1
[M+Na-2H]- 183.03873 136.2
[M]+ 162.06351 126.5
[M]- 162.06461 126.5
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.