CID 12473473

4-bromobut-2-yn-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

147.95238 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.95966 117.6
[M+Na]+ 170.94160 131.3
[M-H]- 146.94510 118.2
[M+NH4]+ 165.98620 139.5
[M+K]+ 186.91554 120.7
[M+H-H2O]+ 130.94964 113.2
[M+HCOO]- 192.95058 135.6
[M+CH3COO]- 206.96623 178.4
[M+Na-2H]- 168.92705 125.9
[M]+ 147.95183 128.8
[M]- 147.95293 128.8
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

patents stripe