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

2
Patents

188.99016 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.997436 131.6
[M+Na]+ 211.979378 143.5
[M-H]- 187.982884 133.9
[M+NH4]+ 207.023983 152.9
[M+K]+ 227.953318 132.0
[M+H-H2O]+ 171.987420 130.5
[M+HCOO]- 233.988361 152.1
[M+CH3COO]- 248.004011 178.3
[M+Na-2H]- 209.964826 138.7
[M]+ 188.98961142 147.2
[M]- 188.99070858 147.2
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

patents stripe