CID 79797904

Ethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate hydrochloride

Structural Information

Molecular Formula
C6H10F3NO2
SMILES
CCOC(=O)C(C)(C(F)(F)F)N
InChI
InChI=1S/C6H10F3NO2/c1-3-12-4(11)5(2,10)6(7,8)9/h3,10H2,1-2H3
InChIKey
UJQGXFFWVCRLHB-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.06636 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07364 134.9
[M+Na]+ 208.05558 142.5
[M-H]- 184.05908 131.2
[M+NH4]+ 203.10018 154.3
[M+K]+ 224.02952 142.2
[M+H-H2O]+ 168.06362 128.4
[M+HCOO]- 230.06456 152.6
[M+CH3COO]- 244.08021 182.8
[M+Na-2H]- 206.04103 139.7
[M]+ 185.06581 130.9
[M]- 185.06691 130.9
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.