CID 11971052

L 1873

Structural Information

Molecular Formula
C6H9NO3
SMILES
CC1(COC(=O)NC1=O)C
InChI
InChI=1S/C6H9NO3/c1-6(2)3-10-5(9)7-4(6)8/h3H2,1-2H3,(H,7,8,9)
InChIKey
QUEPSJINFWEFFI-UHFFFAOYSA-N
Compound name
5,5-dimethyl-1,3-oxazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

143.05824 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 125.3
[M+Na]+ 166.047458 133.9
[M-H]- 142.050964 127.3
[M+NH4]+ 161.092063 145.8
[M+K]+ 182.021398 134.0
[M+H-H2O]+ 126.055500 120.8
[M+HCOO]- 188.056441 143.9
[M+CH3COO]- 202.072091 169.6
[M+Na-2H]- 164.032906 132.7
[M]+ 143.05769142 123.3
[M]- 143.05878858 123.3
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

patents stripe