CID 210588

21330-84-7

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₄

SMILES

CCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O

InChI

InChI=1S/C13H20N2O4/c1-2-3-10-11(17)14-13(19)15(12(10)18)8-4-6-9(16)7-5-8/h8-10,16H,2-7H2,1H3,(H,14,17,19)

InChIKey

WKFVLXPVWIQVMJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.1423 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]+	269.149576	163.8
[M+Na]+	291.131518	169.0
[M-H]-	267.135024	164.2
[M+NH4]+	286.176123	176.1
[M+K]+	307.105458	165.0
[M+H-H2O]+	251.139560	156.0
[M+HCOO]-	313.140501	175.3
[M+CH3COO]-	327.156151	193.9
[M+Na-2H]-	289.116966	162.0
[M]+	268.14175142	156.9
[M]-	268.14284858	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe