CID 3062562

98426-60-9

Structural Information

Molecular Formula
C8H13NO3
SMILES
CCC1(COC(=O)N(C1=O)C)C
InChI
InChI=1S/C8H13NO3/c1-4-8(2)5-12-7(11)9(3)6(8)10/h4-5H2,1-3H3
InChIKey
FAFKIZOWMCHLMM-UHFFFAOYSA-N
Compound name
5-ethyl-3,5-dimethyl-1,3-oxazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 132.1
[M+Na]+ 194.07876 141.2
[M-H]- 170.08226 135.5
[M+NH4]+ 189.12336 152.4
[M+K]+ 210.05270 141.8
[M+H-H2O]+ 154.08680 127.2
[M+HCOO]- 216.08774 151.5
[M+CH3COO]- 230.10339 179.4
[M+Na-2H]- 192.06421 138.3
[M]+ 171.08899 133.0
[M]- 171.09009 133.0
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.