CID 112756135

N-[2-(2-bromoethoxy)ethyl]acetamide

Structural Information

Molecular Formula
C6H12BrNO2
SMILES
CC(=O)NCCOCCBr
InChI
InChI=1S/C6H12BrNO2/c1-6(9)8-3-5-10-4-2-7/h2-5H2,1H3,(H,8,9)
InChIKey
SNZFTGWTTWWKHN-UHFFFAOYSA-N
Compound name
N-[2-(2-bromoethoxy)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.00514 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.01242 138.1
[M+Na]+ 231.99436 147.8
[M-H]- 207.99786 140.8
[M+NH4]+ 227.03896 160.0
[M+K]+ 247.96830 138.0
[M+H-H2O]+ 192.00240 137.6
[M+HCOO]- 254.00334 159.8
[M+CH3COO]- 268.01899 185.5
[M+Na-2H]- 229.97981 144.9
[M]+ 209.00459 158.0
[M]- 209.00569 158.0
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

patents stripe