CID 22308741

Methyl 2-amino-3-(4-fluoro-1h-indol-3-yl)propanoate

Structural Information

Molecular Formula
C12H13FN2O2
SMILES
COC(=O)C(CC1=CNC2=C1C(=CC=C2)F)N
InChI
InChI=1S/C12H13FN2O2/c1-17-12(16)9(14)5-7-6-15-10-4-2-3-8(13)11(7)10/h2-4,6,9,15H,5,14H2,1H3
InChIKey
ZIYNPXVEKXATPA-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(4-fluoro-1H-indol-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.0961 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10338 150.5
[M+Na]+ 259.08532 160.4
[M+NH4]+ 254.12992 156.9
[M+K]+ 275.05926 157.5
[M-H]- 235.08882 149.7
[M+Na-2H]- 257.07077 154.1
[M]+ 236.09555 151.3
[M]- 236.09665 151.3
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.