CID 63681052

2-bromo-n-(2,2-dimethylpropyl)acetamide

Structural Information

Molecular Formula
C7H14BrNO
SMILES
CC(C)(C)CNC(=O)CBr
InChI
InChI=1S/C7H14BrNO/c1-7(2,3)5-9-6(10)4-8/h4-5H2,1-3H3,(H,9,10)
InChIKey
IFRWSGWGJXKGLZ-UHFFFAOYSA-N
Compound name
2-bromo-N-(2,2-dimethylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.02588 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03316 141.1
[M+Na]+ 230.01510 151.1
[M-H]- 206.01860 144.2
[M+NH4]+ 225.05970 163.5
[M+K]+ 245.98904 140.9
[M+H-H2O]+ 190.02314 141.4
[M+HCOO]- 252.02408 160.9
[M+CH3COO]- 266.03973 186.2
[M+Na-2H]- 228.00055 148.0
[M]+ 207.02533 159.6
[M]- 207.02643 159.6
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.