CID 23635342

Ethyl 2-amino-4,4,4-trifluorobutanoate hydrochloride

Structural Information

Molecular Formula
C6H10F3NO2
SMILES
CCOC(=O)C(CC(F)(F)F)N
InChI
InChI=1S/C6H10F3NO2/c1-2-12-5(11)4(10)3-6(7,8)9/h4H,2-3,10H2,1H3
InChIKey
LWAJBKDTUWYBQM-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4,4,4-trifluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

185.06636 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07364 135.8
[M+Na]+ 208.05558 142.6
[M-H]- 184.05908 131.7
[M+NH4]+ 203.10018 155.0
[M+K]+ 224.02952 142.3
[M+H-H2O]+ 168.06362 128.6
[M+HCOO]- 230.06456 153.9
[M+CH3COO]- 244.08021 183.3
[M+Na-2H]- 206.04103 138.4
[M]+ 185.06581 131.6
[M]- 185.06691 131.6
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