CID 199448

4192-35-2

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₄

SMILES

CC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O

InChI

InChI=1S/C11H16N2O4/c1-6-9(15)12-11(17)13(10(6)16)7-2-4-8(14)5-3-7/h6-8,14H,2-5H2,1H3,(H,12,15,17)

InChIKey

BCQYOGARERVACY-UHFFFAOYSA-N

Compound name

1-(4-hydroxycyclohexyl)-5-methyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 240.11101 Da
Monoisotopic Mass: 0.2
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]+	241.118286	155.1
[M+Na]+	263.100228	161.2
[M-H]-	239.103734	155.9
[M+NH4]+	258.144833	168.6
[M+K]+	279.074168	157.7
[M+H-H2O]+	223.108270	147.7
[M+HCOO]-	285.109211	167.3
[M+CH3COO]-	299.124861	187.9
[M+Na-2H]-	261.085676	154.3
[M]+	240.11046142	147.6
[M]-	240.11155858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe