CID 55284525

4-bromobut-3-yn-1-amine hydrochloride

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

1
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 119.0
[M+Na]+ 169.95757 132.0
[M-H]- 145.96107 120.0
[M+NH4]+ 165.00217 140.7
[M+K]+ 185.93151 121.3
[M+H-H2O]+ 129.96561 113.7
[M+HCOO]- 191.96655 138.1
[M+CH3COO]- 205.98220 183.0
[M+Na-2H]- 167.94302 126.8
[M]+ 146.96780 128.9
[M]- 146.96890 128.9
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