CID 287925

3-(2-bromoethoxy)prop-1-yne

Structural Information

Molecular Formula
C5H7BrO
SMILES
C#CCOCCBr
InChI
InChI=1S/C5H7BrO/c1-2-4-7-5-3-6/h1H,3-5H2
InChIKey
DHPKZCYUYUEPSH-UHFFFAOYSA-N
Compound name
3-(2-bromoethoxy)prop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

161.96803 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97531 119.1
[M+Na]+ 184.95725 132.7
[M-H]- 160.96075 120.6
[M+NH4]+ 180.00185 140.9
[M+K]+ 200.93119 122.7
[M+H-H2O]+ 144.96529 114.3
[M+HCOO]- 206.96623 138.1
[M+CH3COO]- 220.98188 184.4
[M+Na-2H]- 182.94270 127.6
[M]+ 161.96748 132.3
[M]- 161.96858 132.3
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