CID 23236614

Methyl 2-amino-3-(6-fluoro-1h-indol-3-yl)propanoate hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

236.0961 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10338 150.5
[M+Na]+ 259.08532 159.2
[M-H]- 235.08882 151.2
[M+NH4]+ 254.12992 168.8
[M+K]+ 275.05926 155.4
[M+H-H2O]+ 219.09336 143.1
[M+HCOO]- 281.09430 171.3
[M+CH3COO]- 295.10995 191.1
[M+Na-2H]- 257.07077 153.3
[M]+ 236.09555 149.9
[M]- 236.09665 149.9
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

patents stripe