CID 136589281

Rac-(4r,5s)-1,2-oxazinane-4,5-diol hydrochloride

Structural Information

Molecular Formula
C4H9NO3
SMILES
C1[C@H]([C@H](CON1)O)O
InChI
InChI=1S/C4H9NO3/c6-3-1-5-8-2-4(3)7/h3-7H,1-2H2/t3-,4+/m1/s1
InChIKey
FEXSXCVIRFBJAN-DMTCNVIQSA-N
Compound name
(4R,5S)-oxazinane-4,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

119.05824 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.065516 122.7
[M+Na]+ 142.047458 128.7
[M-H]- 118.050964 121.2
[M+NH4]+ 137.092063 140.3
[M+K]+ 158.021398 128.2
[M+H-H2O]+ 102.055500 117.4
[M+HCOO]- 164.056441 138.4
[M+CH3COO]- 178.072091 159.4
[M+Na-2H]- 140.032906 129.2
[M]+ 119.05769142 116.7
[M]- 119.05878858 116.7
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.