CID 45496542

2-amino-4-[4-(trifluoromethyl)phenyl]butanoic acid

Structural Information

Molecular Formula
C11H12F3NO2
SMILES
C1=CC(=CC=C1CCC(C(=O)O)N)C(F)(F)F
InChI
InChI=1S/C11H12F3NO2/c12-11(13,14)8-4-1-7(2-5-8)3-6-9(15)10(16)17/h1-2,4-5,9H,3,6,15H2,(H,16,17)
InChIKey
VOINSBLLXKDEJC-UHFFFAOYSA-N
Compound name
2-amino-4-[4-(trifluoromethyl)phenyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

247.08202 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08930 155.4
[M+Na]+ 270.07124 161.8
[M+NH4]+ 265.11584 159.4
[M+K]+ 286.04518 158.4
[M-H]- 246.07474 151.2
[M+Na-2H]- 268.05669 157.4
[M]+ 247.08147 154.6
[M]- 247.08257 154.6
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