CID 16217701

3-(n-formyl-n-methylamino)-2-(trifluoromethyl)propanoic acid

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 136.0
[M+Na]+ 222.03484 142.8
[M-H]- 198.03834 132.5
[M+NH4]+ 217.07944 154.6
[M+K]+ 238.00878 143.2
[M+H-H2O]+ 182.04288 128.7
[M+HCOO]- 244.04382 154.2
[M+CH3COO]- 258.05947 186.6
[M+Na-2H]- 220.02029 138.6
[M]+ 199.04507 133.1
[M]- 199.04617 133.1
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.