CID 119815

28084-37-9

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C=CN1CCCN(C1=O)C=C

InChI

InChI=1S/C8H12N2O/c1-3-9-6-5-7-10(4-2)8(9)11/h3-4H,1-2,5-7H2

InChIKey

JVGOEGSMSPAINF-UHFFFAOYSA-N

Compound name

1,3-bis(ethenyl)-1,3-diazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 152.09496 Da
Monoisotopic Mass: 0.8
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]+	153.102236	132.6
[M+Na]+	175.084178	140.2
[M-H]-	151.087684	133.0
[M+NH4]+	170.128783	151.2
[M+K]+	191.058118	137.8
[M+H-H2O]+	135.092220	125.9
[M+HCOO]-	197.093161	151.3
[M+CH3COO]-	211.108811	176.4
[M+Na-2H]-	173.069626	137.0
[M]+	152.09441142	129.0
[M]-	152.09550858	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe