CID 21479220

66639-75-6

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CCN1CCCNC1=O

InChI

InChI=1S/C6H12N2O/c1-2-8-5-3-4-7-6(8)9/h2-5H2,1H3,(H,7,9)

InChIKey

DBSPZYVXETVRMN-UHFFFAOYSA-N

Compound name

1-ethyl-1,3-diazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 138
Patents: 128.09496 Da
Monoisotopic Mass: 0.0
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]+	129.102236	127.9
[M+Na]+	151.084178	134.3
[M-H]-	127.087684	126.8
[M+NH4]+	146.128783	146.6
[M+K]+	167.058118	132.7
[M+H-H2O]+	111.092220	121.3
[M+HCOO]-	173.093161	145.3
[M+CH3COO]-	187.108811	168.3
[M+Na-2H]-	149.069626	133.4
[M]+	128.09441142	122.7
[M]-	128.09550858	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe