CID 157885

N,n'-diallyltrimethyleneurea

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

C=CCN1CCCN(C1=O)CC=C

InChI

InChI=1S/C10H16N2O/c1-3-6-11-8-5-9-12(7-4-2)10(11)13/h3-4H,1-2,5-9H2

InChIKey

POAKGPSGRNFNGA-UHFFFAOYSA-N

Compound name

1,3-bis(prop-2-enyl)-1,3-diazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 180.12627 Da
Monoisotopic Mass: 1.2
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]+	181.133546	141.6
[M+Na]+	203.115488	148.3
[M-H]-	179.118994	141.7
[M+NH4]+	198.160093	159.1
[M+K]+	219.089428	145.4
[M+H-H2O]+	163.123530	134.5
[M+HCOO]-	225.124471	159.7
[M+CH3COO]-	239.140121	182.5
[M+Na-2H]-	201.100936	144.9
[M]+	180.12572142	138.8
[M]-	180.12681858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe