CID 167734507

1-bromo-4,4-dimethoxybut-1-yne

Structural Information

Molecular Formula
C6H9BrO2
SMILES
COC(CC#CBr)OC
InChI
InChI=1S/C6H9BrO2/c1-8-6(9-2)4-3-5-7/h6H,4H2,1-2H3
InChIKey
PAHFMTKTFIVPHR-UHFFFAOYSA-N
Compound name
1-bromo-4,4-dimethoxybut-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.97859 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98587 132.2
[M+Na]+ 214.96781 134.4
[M+NH4]+ 210.01241 133.7
[M+K]+ 230.94175 132.2
[M-H]- 190.97131 123.8
[M+Na-2H]- 212.95326 131.3
[M]+ 191.97804 128.2
[M]- 191.97914 128.2
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.