CID 11971074

90609-01-1

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

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

InChI

InChI=1S/C9H15NO3/c1-4-5-9(2)6-13-8(12)10(3)7(9)11/h4-6H2,1-3H3

InChIKey

STTOVGOOTSKACO-UHFFFAOYSA-N

Compound name

3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 185.1052 Da
Monoisotopic Mass: 1.4
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]+	186.112476	136.7
[M+Na]+	208.094418	145.3
[M-H]-	184.097924	139.9
[M+NH4]+	203.139023	156.5
[M+K]+	224.068358	145.7
[M+H-H2O]+	168.102460	131.6
[M+HCOO]-	230.103401	155.8
[M+CH3COO]-	244.119051	182.5
[M+Na-2H]-	206.079866	142.4
[M]+	185.10465142	138.0
[M]-	185.10574858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe