CID 449101

Tetrahydrooxazine

Structural Information

Molecular Formula
C5H11NO4
SMILES
C1[C@H]([C@@H]([C@H](ON1)CO)O)O
InChI
InChI=1S/C5H11NO4/c7-2-4-5(9)3(8)1-6-10-4/h3-9H,1-2H2/t3-,4-,5+/m1/s1
InChIKey
KHVCOYGKHDJPBZ-WDCZJNDASA-N
Compound name
(4R,5S,6R)-6-(hydroxymethyl)oxazinane-4,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4005
Patents

149.0688 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07608 130.6
[M+Na]+ 172.05802 136.6
[M-H]- 148.06152 127.9
[M+NH4]+ 167.10262 146.5
[M+K]+ 188.03196 135.5
[M+H-H2O]+ 132.06606 125.3
[M+HCOO]- 194.06700 144.6
[M+CH3COO]- 208.08265 163.6
[M+Na-2H]- 170.04347 135.4
[M]+ 149.06825 125.0
[M]- 149.06935 125.0
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.