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

17
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 144.6
[M+Na]+ 236.06934 151.8
[M-H]- 212.07284 145.4
[M+NH4]+ 231.11394 162.2
[M+K]+ 252.04328 150.0
[M+H-H2O]+ 196.07738 137.8
[M+HCOO]- 258.07832 165.5
[M+CH3COO]- 272.09397 187.4
[M+Na-2H]- 234.05479 146.4
[M]+ 213.07957 143.0
[M]- 213.08067 143.0
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