CID 101235

2-bromo-2-methylpropanamide

Structural Information

Molecular Formula
C4H8BrNO
SMILES
CC(C)(C(=O)N)Br
InChI
InChI=1S/C4H8BrNO/c1-4(2,5)3(6)7/h1-2H3,(H2,6,7)
InChIKey
WTRIMJTZOOLIFZ-UHFFFAOYSA-N
Compound name
2-bromo-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

844
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 127.7
[M+Na]+ 187.96815 138.7
[M-H]- 163.97165 130.7
[M+NH4]+ 183.01275 151.2
[M+K]+ 203.94209 128.9
[M+H-H2O]+ 147.97619 128.5
[M+HCOO]- 209.97713 147.8
[M+CH3COO]- 223.99278 178.2
[M+Na-2H]- 185.95360 135.1
[M]+ 164.97838 144.2
[M]- 164.97948 144.2
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.