CID 165982496

1-(2-bromoethynyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C6H7BrO
SMILES
C1CC(C1)(C#CBr)O
InChI
InChI=1S/C6H7BrO/c7-5-4-6(8)2-1-3-6/h8H,1-3H2
InChIKey
CDHXVCCKGZYTDA-UHFFFAOYSA-N
Compound name
1-(2-bromoethynyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.96803 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.97531 115.8
[M+Na]+ 196.95725 128.1
[M-H]- 172.96075 119.2
[M+NH4]+ 192.00185 133.0
[M+K]+ 212.93119 120.4
[M+H-H2O]+ 156.96529 108.6
[M+HCOO]- 218.96623 132.3
[M+CH3COO]- 232.98188 185.1
[M+Na-2H]- 194.94270 124.7
[M]+ 173.96748 132.9
[M]- 173.96858 132.9
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.