CID 99136

1,3-diethylhexahydropyrimid-2-one

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CCN1CCCN(C1=O)CC

InChI

InChI=1S/C8H16N2O/c1-3-9-6-5-7-10(4-2)8(9)11/h3-7H2,1-2H3

InChIKey

HLWPXRDVZZOLHS-UHFFFAOYSA-N

Compound name

1,3-diethyl-1,3-diazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 88
Patents: 156.12627 Da
Monoisotopic Mass: 0.6
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]+	157.133546	135.6
[M+Na]+	179.115488	142.5
[M-H]-	155.118994	135.9
[M+NH4]+	174.160093	154.2
[M+K]+	195.089428	141.3
[M+H-H2O]+	139.123530	128.7
[M+HCOO]-	201.124471	153.9
[M+CH3COO]-	215.140121	178.2
[M+Na-2H]-	177.100936	139.9
[M]+	156.12572142	133.4
[M]-	156.12681858	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe