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

0
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 143.4
[M+Na]+ 203.11549 154.3
[M+NH4]+ 198.16009 150.2
[M+K]+ 219.08943 147.6
[M-H]- 179.11899 143.3
[M+Na-2H]- 201.10094 146.9
[M]+ 180.12572 144.6
[M]- 180.12682 144.6
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.