CID 854024

2-(6-fluoro-1h-indol-3-yl)ethanamine

Structural Information

Molecular Formula
C10H11FN2
SMILES
C1=CC2=C(C=C1F)NC=C2CCN
InChI
InChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2
InChIKey
BQTOKMYKZPCPRW-UHFFFAOYSA-N
Compound name
2-(6-fluoro-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

459
Patents

178.09062 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09790 134.3
[M+Na]+ 201.07984 144.5
[M-H]- 177.08334 135.2
[M+NH4]+ 196.12444 155.4
[M+K]+ 217.05378 139.5
[M+H-H2O]+ 161.08788 127.5
[M+HCOO]- 223.08882 157.3
[M+CH3COO]- 237.10447 147.8
[M+Na-2H]- 199.06529 140.7
[M]+ 178.09007 132.3
[M]- 178.09117 132.3
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.