CID 54438606

2-amino-4-(4-fluorophenyl)butanoic acid

Structural Information

Molecular Formula
C10H12FNO2
SMILES
C1=CC(=CC=C1CCC(C(=O)O)N)F
InChI
InChI=1S/C10H12FNO2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,9H,3,6,12H2,(H,13,14)
InChIKey
WMMMRQAUOPVWML-UHFFFAOYSA-N
Compound name
2-amino-4-(4-fluorophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

197.0852 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.092476 141.9
[M+Na]+ 220.074418 148.2
[M-H]- 196.077924 142.3
[M+NH4]+ 215.119023 159.8
[M+K]+ 236.048358 145.7
[M+H-H2O]+ 180.082460 135.0
[M+HCOO]- 242.083401 162.6
[M+CH3COO]- 256.099051 184.7
[M+Na-2H]- 218.059866 144.4
[M]+ 197.08465142 138.6
[M]- 197.08574858 138.6
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