CID 165990038

3-(2-bromoethynyl)oxetan-3-ol

Structural Information

Molecular Formula
C5H5BrO2
SMILES
C1C(CO1)(C#CBr)O
InChI
InChI=1S/C5H5BrO2/c6-2-1-5(7)3-8-4-5/h7H,3-4H2
InChIKey
AHZKMNBCSJREBP-UHFFFAOYSA-N
Compound name
3-(2-bromoethynyl)oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.9473 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.95458 110.3
[M+Na]+ 198.93652 122.7
[M-H]- 174.94002 114.1
[M+NH4]+ 193.98112 126.3
[M+K]+ 214.91046 116.8
[M+H-H2O]+ 158.94456 102.9
[M+HCOO]- 220.94550 126.5
[M+CH3COO]- 234.96115 184.2
[M+Na-2H]- 196.92197 120.8
[M]+ 175.94675 128.8
[M]- 175.94785 128.8
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.