CID 3063313

2h-1,3-oxazine-2,4(3h)-dione, dihydro-5,5-dibutyl-

Structural Information

Molecular Formula
C12H21NO3
SMILES
CCCCC1(COC(=O)NC1=O)CCCC
InChI
InChI=1S/C12H21NO3/c1-3-5-7-12(8-6-4-2)9-16-11(15)13-10(12)14/h3-9H2,1-2H3,(H,13,14,15)
InChIKey
LLOLAZGNHRBEDI-UHFFFAOYSA-N
Compound name
5,5-dibutyl-1,3-oxazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 154.3
[M+Na]+ 250.14137 164.0
[M+NH4]+ 245.18597 161.7
[M+K]+ 266.11531 156.8
[M-H]- 226.14487 155.0
[M+Na-2H]- 248.12682 157.6
[M]+ 227.15160 155.7
[M]- 227.15270 155.7
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.