CID 83855187

Ethyl 2-(aminomethyl)-2-fluoro-3-methylbutanoate hydrochloride

Structural Information

Molecular Formula
C8H16FNO2
SMILES
CCOC(=O)C(CN)(C(C)C)F
InChI
InChI=1S/C8H16FNO2/c1-4-12-7(11)8(9,5-10)6(2)3/h6H,4-5,10H2,1-3H3
InChIKey
IWAKTEPMFCVRHY-UHFFFAOYSA-N
Compound name
ethyl 2-(aminomethyl)-2-fluoro-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.1165 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12378 140.0
[M+Na]+ 200.10572 145.9
[M-H]- 176.10922 138.4
[M+NH4]+ 195.15032 159.7
[M+K]+ 216.07966 146.0
[M+H-H2O]+ 160.11376 134.4
[M+HCOO]- 222.11470 159.6
[M+CH3COO]- 236.13035 184.4
[M+Na-2H]- 198.09117 142.7
[M]+ 177.11595 139.3
[M]- 177.11705 139.3
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.