CID 6434800

Crotonamide, 2-bromo-n,n-diethyl-

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]+ 220.033156 143.6
[M+Na]+ 242.015098 153.1
[M-H]- 218.018604 147.8
[M+NH4]+ 237.059703 165.9
[M+K]+ 257.989038 143.5
[M+H-H2O]+ 202.023140 143.2
[M+HCOO]- 264.024081 164.3
[M+CH3COO]- 278.039731 192.0
[M+Na-2H]- 240.000546 147.7
[M]+ 219.02533142 162.8
[M]- 219.02642858 162.8
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.