CID 62343123

4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enoic acid hydrochloride

Structural Information

Molecular Formula
C7H10F3NO2
SMILES
CN(C/C=C/C(=O)O)CC(F)(F)F
InChI
InChI=1S/C7H10F3NO2/c1-11(5-7(8,9)10)4-2-3-6(12)13/h2-3H,4-5H2,1H3,(H,12,13)/b3-2+
InChIKey
LBWZLISWOUXVLY-NSCUHMNNSA-N
Compound name
(E)-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06636 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07364 145.2
[M+Na]+ 220.05558 150.3
[M+NH4]+ 215.10018 148.8
[M+K]+ 236.02952 147.2
[M-H]- 196.05908 138.9
[M+Na-2H]- 218.04103 145.2
[M]+ 197.06581 143.4
[M]- 197.06691 143.4
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.