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

3
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

patents stripe