CID 154814311

2550997-70-9

Structural Information

Molecular Formula
C5H8F3NO3
SMILES
COC(=O)[C@H](COC(F)(F)F)N
InChI
InChI=1S/C5H8F3NO3/c1-11-4(10)3(9)2-12-5(6,7)8/h3H,2,9H2,1H3/t3-/m0/s1
InChIKey
TXBYNCPRRIBRFF-VKHMYHEASA-N
Compound name
methyl (2S)-2-amino-3-(trifluoromethoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04562 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05290 133.6
[M+Na]+ 210.03484 140.8
[M-H]- 186.03834 129.7
[M+NH4]+ 205.07944 152.7
[M+K]+ 226.00878 141.3
[M+H-H2O]+ 170.04288 126.4
[M+HCOO]- 232.04382 152.4
[M+CH3COO]- 246.05947 182.3
[M+Na-2H]- 208.02029 136.9
[M]+ 187.04507 130.6
[M]- 187.04617 130.6
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

No patent data available for this compound.