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

3757
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

literature stripe

Patent stripe

patents stripe