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

447
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

literature stripe

Patent stripe

patents stripe