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]+ 120.06552 122.7
[M+Na]+ 142.04746 128.7
[M-H]- 118.05096 121.2
[M+NH4]+ 137.09206 140.3
[M+K]+ 158.02140 128.2
[M+H-H2O]+ 102.05550 117.4
[M+HCOO]- 164.05644 138.4
[M+CH3COO]- 178.07209 159.4
[M+Na-2H]- 140.03291 129.2
[M]+ 119.05769 116.7
[M]- 119.05879 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.