CID 6447723

1-(2-tert-butylcrotonoyl)urea

Structural Information

Molecular Formula
C9H16N2O2
SMILES
C/C=C(/C(=O)NC(=O)N)\C(C)(C)C
InChI
InChI=1S/C9H16N2O2/c1-5-6(9(2,3)4)7(12)11-8(10)13/h5H,1-4H3,(H3,10,11,12,13)/b6-5-
InChIKey
PINGGAYTIFWXIY-WAYWQWQTSA-N
Compound name
(E)-2-tert-butyl-N-carbamoylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 144.3
[M+Na]+ 207.11041 150.3
[M+NH4]+ 202.15501 149.5
[M+K]+ 223.08435 148.2
[M-H]- 183.11391 142.0
[M+Na-2H]- 205.09586 145.0
[M]+ 184.12064 143.9
[M]- 184.12174 143.9
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.