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

1271
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

literature stripe

Patent stripe

patents stripe