CID 594880

2172251-28-2

Structural Information

Molecular Formula
C5H8BrN3
SMILES
C1=NC(=C(N1)CCN)Br
InChI
InChI=1S/C5H8BrN3/c6-5-4(1-2-7)8-3-9-5/h3H,1-2,7H2,(H,8,9)
InChIKey
IDMAMVSNTMUBNI-UHFFFAOYSA-N
Compound name
2-(4-bromo-1H-imidazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

188.99016 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.99744 138.5
[M+Na]+ 211.97938 139.6
[M+NH4]+ 207.02398 142.4
[M+K]+ 227.95332 141.7
[M-H]- 187.98288 137.4
[M+Na-2H]- 209.96483 140.1
[M]+ 188.98961 136.8
[M]- 188.99071 136.8
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

No patent data available for this compound.