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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 141.6
[M+Na]+ 203.11549 148.3
[M-H]- 179.11899 141.7
[M+NH4]+ 198.16009 159.1
[M+K]+ 219.08943 145.4
[M+H-H2O]+ 163.12353 134.5
[M+HCOO]- 225.12447 159.7
[M+CH3COO]- 239.14012 182.5
[M+Na-2H]- 201.10094 144.9
[M]+ 180.12572 138.8
[M]- 180.12682 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.