CID 7175967

Methyl (3r)-3-amino-3-(2-fluorophenyl)propanoate hydrochloride

Structural Information

Molecular Formula
C10H12FNO2
SMILES
COC(=O)C[C@H](C1=CC=CC=C1F)N
InChI
InChI=1S/C10H12FNO2/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-5,9H,6,12H2,1H3/t9-/m1/s1
InChIKey
SUVMVUFJILWDSU-SECBINFHSA-N
Compound name
methyl (3R)-3-amino-3-(2-fluorophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.0852 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09248 141.6
[M+Na]+ 220.07442 148.5
[M-H]- 196.07792 143.5
[M+NH4]+ 215.11902 160.4
[M+K]+ 236.04836 146.9
[M+H-H2O]+ 180.08246 134.6
[M+HCOO]- 242.08340 163.9
[M+CH3COO]- 256.09905 186.6
[M+Na-2H]- 218.05987 144.7
[M]+ 197.08465 140.2
[M]- 197.08575 140.2
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

No patent data available for this compound.