CID 102104284

Methyl 2-amino-4-fluoro-2-methylbutanoate

Structural Information

Molecular Formula
C6H12FNO2
SMILES
CC(CCF)(C(=O)OC)N
InChI
InChI=1S/C6H12FNO2/c1-6(8,3-4-7)5(9)10-2/h3-4,8H2,1-2H3
InChIKey
LICKWEUMIIMSEP-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-fluoro-2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.0852 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09248 130.6
[M+Na]+ 172.07442 137.6
[M-H]- 148.07792 129.3
[M+NH4]+ 167.11902 151.5
[M+K]+ 188.04836 137.7
[M+H-H2O]+ 132.08246 125.4
[M+HCOO]- 194.08340 151.9
[M+CH3COO]- 208.09905 177.5
[M+Na-2H]- 170.05987 135.7
[M]+ 149.08465 129.8
[M]- 149.08575 129.8
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.