CID 533975

3-bromo-3-buten-1-ol

Structural Information

Molecular Formula
C4H7BrO
SMILES
C=C(CCO)Br
InChI
InChI=1S/C4H7BrO/c1-4(5)2-3-6/h6H,1-3H2
InChIKey
RTKMFQOHBDVEBC-UHFFFAOYSA-N
Compound name
3-bromobut-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

933
Patents

149.96803 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.97531 123.5
[M+Na]+ 172.95725 134.6
[M-H]- 148.96075 125.6
[M+NH4]+ 168.00185 147.5
[M+K]+ 188.93119 124.4
[M+H-H2O]+ 132.96529 124.9
[M+HCOO]- 194.96623 143.4
[M+CH3COO]- 208.98188 171.7
[M+Na-2H]- 170.94270 130.9
[M]+ 149.96748 140.6
[M]- 149.96858 140.6
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