CID 20555402

Methyl 2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoate hydrochloride

Structural Information

Molecular Formula
C10H12FNO3
SMILES
COC(=O)C(CC1=CC(=C(C=C1)O)F)N
InChI
InChI=1S/C10H12FNO3/c1-15-10(14)8(12)5-6-2-3-9(13)7(11)4-6/h2-4,8,13H,5,12H2,1H3
InChIKey
IQRHFELMGPTEOK-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

213.08012 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08740 145.6
[M+Na]+ 236.06934 154.8
[M+NH4]+ 231.11394 151.5
[M+K]+ 252.04328 151.0
[M-H]- 212.07284 144.7
[M+Na-2H]- 234.05479 149.1
[M]+ 213.07957 146.2
[M]- 213.08067 146.2
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