CID 146049962

4-bromo-1,1-diethoxypent-2-yne

Structural Information

Molecular Formula
C9H15BrO2
SMILES
CCOC(C#CC(C)Br)OCC
InChI
InChI=1S/C9H15BrO2/c1-4-11-9(12-5-2)7-6-8(3)10/h8-9H,4-5H2,1-3H3
InChIKey
AERBKEYVOLQHSG-UHFFFAOYSA-N
Compound name
4-bromo-1,1-diethoxypent-2-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02554 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03282 142.8
[M+Na]+ 257.01476 144.4
[M+NH4]+ 252.05936 143.9
[M+K]+ 272.98870 142.3
[M-H]- 233.01826 134.2
[M+Na-2H]- 255.00021 141.1
[M]+ 234.02499 138.7
[M]- 234.02609 138.7
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.