CID 225544

2-bromo-n,n-dimethylacetamide

Structural Information

Molecular Formula
C4H8BrNO
SMILES
CN(C)C(=O)CBr
InChI
InChI=1S/C4H8BrNO/c1-6(2)4(7)3-5/h3H2,1-2H3
InChIKey
QPIOVNJLOVNTMW-UHFFFAOYSA-N
Compound name
2-bromo-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1191
Patents

164.97893 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.98621 126.0
[M+Na]+ 187.96815 136.9
[M-H]- 163.97165 130.8
[M+NH4]+ 183.01275 150.4
[M+K]+ 203.94209 128.6
[M+H-H2O]+ 147.97619 126.2
[M+HCOO]- 209.97713 148.7
[M+CH3COO]- 223.99278 181.4
[M+Na-2H]- 185.95360 133.4
[M]+ 164.97838 145.2
[M]- 164.97948 145.2
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.