CID 55284525

4-bromobut-3-yn-1-aminehydrochloride

Structural Information

Molecular Formula
C4H6BrN
SMILES
C(CN)C#CBr
InChI
InChI=1S/C4H6BrN/c5-3-1-2-4-6/h2,4,6H2
InChIKey
IWGIJIJTMCXEFN-UHFFFAOYSA-N
Compound name
4-bromobut-3-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.96835 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.97563 125.7
[M+Na]+ 169.95757 128.0
[M+NH4]+ 165.00217 128.0
[M+K]+ 185.93151 125.2
[M-H]- 145.96107 118.4
[M+Na-2H]- 167.94302 125.5
[M]+ 146.96780 122.1
[M]- 146.96890 122.1
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.