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]+ 176.954576 110.3
[M+Na]+ 198.936518 122.7
[M-H]- 174.940024 114.1
[M+NH4]+ 193.981123 126.3
[M+K]+ 214.910458 116.8
[M+H-H2O]+ 158.944560 102.9
[M+HCOO]- 220.945501 126.5
[M+CH3COO]- 234.961151 184.2
[M+Na-2H]- 196.921966 120.8
[M]+ 175.94675142 128.8
[M]- 175.94784858 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.