CID 11971073

90609-00-0

Structural Information

Molecular Formula
C9H15NO3
SMILES
CCC1(COC(=O)N(C1=O)C)CC
InChI
InChI=1S/C9H15NO3/c1-4-9(5-2)6-13-8(12)10(3)7(9)11/h4-6H2,1-3H3
InChIKey
JTMYNVXDMZPYFG-UHFFFAOYSA-N
Compound name
5,5-diethyl-3-methyl-1,3-oxazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 136.7
[M+Na]+ 208.09442 145.3
[M-H]- 184.09792 139.9
[M+NH4]+ 203.13902 156.5
[M+K]+ 224.06836 145.7
[M+H-H2O]+ 168.10246 131.6
[M+HCOO]- 230.10340 155.8
[M+CH3COO]- 244.11905 182.5
[M+Na-2H]- 206.07987 142.4
[M]+ 185.10465 138.0
[M]- 185.10575 138.0
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

patents stripe