CID 5311799

2-amino-3,3,3-trifluoro-2-methylpropanoic acid

Structural Information

Molecular Formula
C4H6F3NO2
SMILES
CC(C(=O)O)(C(F)(F)F)N
InChI
InChI=1S/C4H6F3NO2/c1-3(8,2(9)10)4(5,6)7/h8H2,1H3,(H,9,10)
InChIKey
JBQBFDPQDFDHEC-UHFFFAOYSA-N
Compound name
2-amino-3,3,3-trifluoro-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

26
Patents

157.03506 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04234 133.4
[M+Na]+ 180.02428 138.2
[M+NH4]+ 175.06888 137.2
[M+K]+ 195.99822 136.9
[M-H]- 156.02778 126.4
[M+Na-2H]- 178.00973 133.5
[M]+ 157.03451 131.5
[M]- 157.03561 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe