CID 81646

7226-23-5

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CN1CCCN(C1=O)C

InChI

InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3

InChIKey

GUVUOGQBMYCBQP-UHFFFAOYSA-N

Compound name

1,3-dimethyl-1,3-diazinan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 38436
Patents: 128.09496 Da
Monoisotopic Mass: -0.1
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]+	129.10224	127.2
[M+Na]+	151.08418	138.9
[M+NH4]+	146.12878	135.2
[M+K]+	167.05812	133.3
[M-H]-	127.08768	127.8
[M+Na-2H]-	149.06963	132.0
[M]+	128.09441	128.8
[M]-	128.09551	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe