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]+ 207.12921 145.1
[M+Na]+ 229.11115 154.8
[M-H]- 205.11465 146.0
[M+NH4]+ 224.15575 165.2
[M+K]+ 245.08509 149.9
[M+H-H2O]+ 189.11919 138.6
[M+HCOO]- 251.12013 165.8
[M+CH3COO]- 265.13578 187.0
[M+Na-2H]- 227.09660 151.1
[M]+ 206.12138 143.3
[M]- 206.12248 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.