CID 14293557

1-bromo-4-methoxybut-2-yne

Structural Information

Molecular Formula
C5H7BrO
SMILES
COCC#CCBr
InChI
InChI=1S/C5H7BrO/c1-7-5-3-2-4-6/h4-5H2,1H3
InChIKey
AQSXUCPRSCGUII-UHFFFAOYSA-N
Compound name
1-bromo-4-methoxybut-2-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

161.96803 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97531 126.5
[M+Na]+ 184.95725 129.5
[M+NH4]+ 180.00185 128.7
[M+K]+ 200.93119 126.5
[M-H]- 160.96075 118.8
[M+Na-2H]- 182.94270 126.5
[M]+ 161.96748 122.9
[M]- 161.96858 122.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe