CID 16217701

870703-89-2

Structural Information

Molecular Formula
C6H8F3NO3
SMILES
CN(CC(C(=O)O)C(F)(F)F)C=O
InChI
InChI=1S/C6H8F3NO3/c1-10(3-11)2-4(5(12)13)6(7,8)9/h3-4H,2H2,1H3,(H,12,13)
InChIKey
WTUAFIXYDMFHQY-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-[[formyl(methyl)amino]methyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.04562 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05290 143.5
[M+Na]+ 222.03484 148.0
[M+NH4]+ 217.07944 146.7
[M+K]+ 238.00878 146.4
[M-H]- 198.03834 136.6
[M+Na-2H]- 220.02029 143.0
[M]+ 199.04507 141.4
[M]- 199.04617 141.4
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.