CID 11182691

4-bromobut-3-yn-1-ol

Structural Information

Molecular Formula
C4H5BrO
SMILES
C(CO)C#CBr
InChI
InChI=1S/C4H5BrO/c5-3-1-2-4-6/h6H,2,4H2
InChIKey
ZUKWNSZNXJADAY-UHFFFAOYSA-N
Compound name
4-bromobut-3-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

147.95238 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.95966 117.4
[M+Na]+ 170.94160 131.0
[M-H]- 146.94510 117.9
[M+NH4]+ 165.98620 139.1
[M+K]+ 186.91554 120.4
[M+H-H2O]+ 130.94964 112.9
[M+HCOO]- 192.95058 135.3
[M+CH3COO]- 206.96623 179.0
[M+Na-2H]- 168.92705 125.7
[M]+ 147.95183 128.6
[M]- 147.95293 128.6
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