CID 11971081

90979-08-1

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: 1
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]+	200.128126	143.6
[M+Na]+	222.110068	150.4
[M-H]-	198.113574	144.7
[M+NH4]+	217.154673	161.7
[M+K]+	238.084008	149.5
[M+H-H2O]+	182.118110	138.2
[M+HCOO]-	244.119051	160.8
[M+CH3COO]-	258.134701	181.7
[M+Na-2H]-	220.095516	148.7
[M]+	199.12030142	142.9
[M]-	199.12139858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe