CID 4018882

Ethyl 2-amino-2-(3-fluoro-4-methoxyphenyl)acetate hydrochloride

Structural Information

Molecular Formula
C11H14FNO3
SMILES
CCOC(=O)C(C1=CC(=C(C=C1)OC)F)N
InChI
InChI=1S/C11H14FNO3/c1-3-16-11(14)10(13)7-4-5-9(15-2)8(12)6-7/h4-6,10H,3,13H2,1-2H3
InChIKey
IJNXURUYPARBDD-UHFFFAOYSA-N
Compound name
ethyl 2-amino-2-(3-fluoro-4-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.09576 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10304 148.7
[M+Na]+ 250.08498 156.0
[M-H]- 226.08848 150.8
[M+NH4]+ 245.12958 166.5
[M+K]+ 266.05892 154.8
[M+H-H2O]+ 210.09302 141.5
[M+HCOO]- 272.09396 170.8
[M+CH3COO]- 286.10961 192.9
[M+Na-2H]- 248.07043 150.6
[M]+ 227.09521 149.5
[M]- 227.09631 149.5
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.