CID 55276382

2241594-12-5

Structural Information

Molecular Formula
C6H8BrNO
SMILES
C[C@H](C1=CC=C(O1)Br)N
InChI
InChI=1S/C6H8BrNO/c1-4(8)5-2-3-6(7)9-5/h2-4H,8H2,1H3/t4-/m1/s1
InChIKey
OCIQPHWLYHBYNK-SCSAIBSYSA-N
Compound name
(1R)-1-(5-bromofuran-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.97893 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.986206 135.3
[M+Na]+ 211.968148 146.9
[M-H]- 187.971654 142.0
[M+NH4]+ 207.012753 158.5
[M+K]+ 227.942088 137.7
[M+H-H2O]+ 171.976190 135.3
[M+HCOO]- 233.977131 157.5
[M+CH3COO]- 247.992781 181.1
[M+Na-2H]- 209.953596 141.7
[M]+ 188.97838142 153.1
[M]- 188.97947858 153.1
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.