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]+ 189.98621 135.3
[M+Na]+ 211.96815 146.9
[M-H]- 187.97165 142.0
[M+NH4]+ 207.01275 158.5
[M+K]+ 227.94209 137.7
[M+H-H2O]+ 171.97619 135.3
[M+HCOO]- 233.97713 157.5
[M+CH3COO]- 247.99278 181.1
[M+Na-2H]- 209.95360 141.7
[M]+ 188.97838 153.1
[M]- 188.97948 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.