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]+ 208.033156 141.1
[M+Na]+ 230.015098 151.1
[M-H]- 206.018604 144.2
[M+NH4]+ 225.059703 163.5
[M+K]+ 245.989038 140.9
[M+H-H2O]+ 190.023140 141.4
[M+HCOO]- 252.024081 160.9
[M+CH3COO]- 266.039731 186.2
[M+Na-2H]- 228.000546 148.0
[M]+ 207.02533142 159.6
[M]- 207.02642858 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.