CID 6437787

1-(2-ethylidenehexanoyl)urea

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CCCC/C(=C/C)/C(=O)NC(=O)N
InChI
InChI=1S/C9H16N2O2/c1-3-5-6-7(4-2)8(12)11-9(10)13/h4H,3,5-6H2,1-2H3,(H3,10,11,12,13)/b7-4-
InChIKey
AUJBYHKZNPPODV-DAXSKMNVSA-N
Compound name
(2Z)-N-carbamoyl-2-ethylidenehexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 144.8
[M+Na]+ 207.11041 151.0
[M+NH4]+ 202.15501 150.1
[M+K]+ 223.08435 147.6
[M-H]- 183.11391 143.1
[M+Na-2H]- 205.09586 145.5
[M]+ 184.12064 144.5
[M]- 184.12174 144.5
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.