CID 2769362

2-(7-fluoro-1h-indol-3-yl)ethan-1-amine

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

2
References

73
Patents

178.09062 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.097896 134.3
[M+Na]+ 201.079838 144.5
[M-H]- 177.083344 135.2
[M+NH4]+ 196.124443 155.4
[M+K]+ 217.053778 139.5
[M+H-H2O]+ 161.087880 127.5
[M+HCOO]- 223.088821 157.3
[M+CH3COO]- 237.104471 147.8
[M+Na-2H]- 199.065286 140.7
[M]+ 178.09007142 132.3
[M]- 178.09116858 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