CID 10921066

2-bromo-n,n-dimethylprop-2-enamide

Structural Information

Molecular Formula
C5H8BrNO
SMILES
CN(C)C(=O)C(=C)Br
InChI
InChI=1S/C5H8BrNO/c1-4(6)5(8)7(2)3/h1H2,2-3H3
InChIKey
JNGAAMQFKFDZJD-UHFFFAOYSA-N
Compound name
2-bromo-N,N-dimethylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

176.97893 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.986206 129.3
[M+Na]+ 199.968148 139.9
[M-H]- 175.971654 134.0
[M+NH4]+ 195.012753 153.1
[M+K]+ 215.942088 131.1
[M+H-H2O]+ 159.976190 129.4
[M+HCOO]- 221.977131 150.9
[M+CH3COO]- 235.992781 184.1
[M+Na-2H]- 197.953596 135.0
[M]+ 176.97838142 147.5
[M]- 176.97947858 147.5
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

patents stripe