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]+ 147.975626 119.0
[M+Na]+ 169.957568 132.0
[M-H]- 145.961074 120.0
[M+NH4]+ 165.002173 140.7
[M+K]+ 185.931508 121.3
[M+H-H2O]+ 129.965610 113.7
[M+HCOO]- 191.966551 138.1
[M+CH3COO]- 205.982201 183.0
[M+Na-2H]- 167.943016 126.8
[M]+ 146.96780142 128.9
[M]- 146.96889858 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