CID 6434800

2-bromo-n,n-diethylcrotonamide

Structural Information

Molecular Formula
C8H14BrNO
SMILES
CCN(CC)C(=O)/C(=C/C)/Br
InChI
InChI=1S/C8H14BrNO/c1-4-7(9)8(11)10(5-2)6-3/h4H,5-6H2,1-3H3/b7-4-
InChIKey
OMIJCHAPEGYDFL-DAXSKMNVSA-N
Compound name
(Z)-2-bromo-N,N-diethylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.02588 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.03316 140.7
[M+Na]+ 242.01510 140.8
[M+NH4]+ 237.05970 144.5
[M+K]+ 257.98904 142.2
[M-H]- 218.01860 139.1
[M+Na-2H]- 240.00055 141.1
[M]+ 219.02533 138.8
[M]- 219.02643 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.