CID 93698235

2742623-92-1

Structural Information

Molecular Formula
C11H14FNO2
SMILES
CN(C)[C@H](CC1=CC=CC=C1F)C(=O)O
InChI
InChI=1S/C11H14FNO2/c1-13(2)10(11(14)15)7-8-5-3-4-6-9(8)12/h3-6,10H,7H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKey
IHRSBMYRQHCVTJ-SNVBAGLBSA-N
Compound name
(2R)-2-(dimethylamino)-3-(2-fluorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.10086 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.108136 145.6
[M+Na]+ 234.090078 151.7
[M-H]- 210.093584 147.9
[M+NH4]+ 229.134683 163.9
[M+K]+ 250.064018 150.7
[M+H-H2O]+ 194.098120 138.4
[M+HCOO]- 256.099061 167.1
[M+CH3COO]- 270.114711 191.8
[M+Na-2H]- 232.075526 148.0
[M]+ 211.10031142 145.0
[M]- 211.10140858 145.0
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

No patent data available for this compound.