CID 26711

Indole, 3-(2-amino-1,1-dimethylethyl)-5-fluoro-

Structural Information

Molecular Formula
C12H15FN2
SMILES
CC(C)(CN)C1=CNC2=C1C=C(C=C2)F
InChI
InChI=1S/C12H15FN2/c1-12(2,7-14)10-6-15-11-4-3-8(13)5-9(10)11/h3-6,15H,7,14H2,1-2H3
InChIKey
ASLGUHWVRPIEME-UHFFFAOYSA-N
Compound name
2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.12193 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.129206 145.1
[M+Na]+ 229.111148 154.8
[M-H]- 205.114654 146.0
[M+NH4]+ 224.155753 165.2
[M+K]+ 245.085088 149.9
[M+H-H2O]+ 189.119190 138.6
[M+HCOO]- 251.120131 165.8
[M+CH3COO]- 265.135781 187.0
[M+Na-2H]- 227.096596 151.1
[M]+ 206.12138142 143.3
[M]- 206.12247858 143.3
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.