CID 19349994

Methyl 2-amino-4,4,4-trifluorobutanoate hydrochloride

Structural Information

Molecular Formula
C5H8F3NO2
SMILES
COC(=O)C(CC(F)(F)F)N
InChI
InChI=1S/C5H8F3NO2/c1-11-4(10)3(9)2-5(6,7)8/h3H,2,9H2,1H3
InChIKey
WZKQAIWCKKIFHK-UHFFFAOYSA-N
Compound name
methyl 2-amino-4,4,4-trifluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

171.05072 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05800 131.0
[M+Na]+ 194.03994 138.3
[M-H]- 170.04344 127.1
[M+NH4]+ 189.08454 150.8
[M+K]+ 210.01388 138.3
[M+H-H2O]+ 154.04798 124.0
[M+HCOO]- 216.04892 149.5
[M+CH3COO]- 230.06457 180.2
[M+Na-2H]- 192.02539 134.2
[M]+ 171.05017 126.5
[M]- 171.05127 126.5
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

patents stripe