CID 11971081

L 1875

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CCCC1(COC(=O)NC1=O)CCC

InChI

InChI=1S/C10H17NO3/c1-3-5-10(6-4-2)7-14-9(13)11-8(10)12/h3-7H2,1-2H3,(H,11,12,13)

InChIKey

RHEQWPSWUPGRQC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.12085 Da
Monoisotopic Mass: 2.2
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]+	200.12813	143.6
[M+Na]+	222.11007	150.4
[M-H]-	198.11357	144.7
[M+NH4]+	217.15467	161.7
[M+K]+	238.08401	149.5
[M+H-H2O]+	182.11811	138.2
[M+HCOO]-	244.11905	160.8
[M+CH3COO]-	258.13470	181.7
[M+Na-2H]-	220.09552	148.7
[M]+	199.12030	142.9
[M]-	199.12140	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe