CID 11971082

91333-63-0

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CCCC1(COC(=O)N(C1=O)C)CCC

InChI

InChI=1S/C11H19NO3/c1-4-6-11(7-5-2)8-15-10(14)12(3)9(11)13/h4-8H2,1-3H3

InChIKey

XPJPWKBTMHAHAN-UHFFFAOYSA-N

Compound name

3-methyl-5,5-dipropyl-1,3-oxazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.13649 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.14377	145.9
[M+Na]+	236.12571	153.7
[M-H]-	212.12921	148.7
[M+NH4]+	231.17031	164.5
[M+K]+	252.09965	153.5
[M+H-H2O]+	196.13375	140.4
[M+HCOO]-	258.13469	164.3
[M+CH3COO]-	272.15034	188.5
[M+Na-2H]-	234.11116	150.5
[M]+	213.13594	147.9
[M]-	213.13704	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe