CID 360170

2-amino-4,4,4-trifluoro-3-hydroxybutanoic acid

Structural Information

Molecular Formula
C4H6F3NO3
SMILES
C(C(C(F)(F)F)O)(C(=O)O)N
InChI
InChI=1S/C4H6F3NO3/c5-4(6,7)2(9)1(8)3(10)11/h1-2,9H,8H2,(H,10,11)
InChIKey
ITYVCUQVLKIGEY-UHFFFAOYSA-N
Compound name
2-amino-4,4,4-trifluoro-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

173.02998 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.037256 129.6
[M+Na]+ 196.019198 136.0
[M-H]- 172.022704 123.0
[M+NH4]+ 191.063803 147.5
[M+K]+ 211.993138 135.5
[M+H-H2O]+ 156.027240 123.0
[M+HCOO]- 218.028181 144.6
[M+CH3COO]- 232.043831 175.9
[M+Na-2H]- 194.004646 131.0
[M]+ 173.02943142 121.7
[M]- 173.03052858 121.7
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