CID 3063934

L 2044

Structural Information

Molecular Formula
C13H23NO3
SMILES
CCCCC1(COC(=O)N(C1=O)C)CCCC
InChI
InChI=1S/C13H23NO3/c1-4-6-8-13(9-7-5-2)10-17-12(16)14(3)11(13)15/h4-10H2,1-3H3
InChIKey
KYFIVDYJASQCDT-UHFFFAOYSA-N
Compound name
5,5-dibutyl-3-methyl-1,3-oxazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 155.0
[M+Na]+ 264.15702 161.9
[M-H]- 240.16052 157.4
[M+NH4]+ 259.20162 172.5
[M+K]+ 280.13096 161.3
[M+H-H2O]+ 224.16506 149.1
[M+HCOO]- 286.16600 172.8
[M+CH3COO]- 300.18165 194.6
[M+Na-2H]- 262.14247 158.6
[M]+ 241.16725 157.8
[M]- 241.16835 157.8
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.