CID 113084

63149-08-6

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₅

SMILES

COCCN1C(=O)CC(=O)N(C1=O)CCOC

InChI

InChI=1S/C10H16N2O5/c1-16-5-3-11-8(13)7-9(14)12(10(11)15)4-6-17-2/h3-7H2,1-2H3

InChIKey

XSMMTYZPQYCJRI-UHFFFAOYSA-N

Compound name

1,3-bis(2-methoxyethyl)-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 244.10593 Da
Monoisotopic Mass: -1.1
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]+	245.11321	151.1
[M+Na]+	267.09515	159.2
[M-H]-	243.09865	151.8
[M+NH4]+	262.13975	166.2
[M+K]+	283.06909	158.4
[M+H-H2O]+	227.10319	143.8
[M+HCOO]-	289.10413	170.0
[M+CH3COO]-	303.11978	193.5
[M+Na-2H]-	265.08060	153.4
[M]+	244.10538	154.9
[M]-	244.10648	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe