CID 83855188

2-(aminomethyl)-2-fluoro-3-methylbutanoic acid

Structural Information

Molecular Formula
C6H12FNO2
SMILES
CC(C)C(CN)(C(=O)O)F
InChI
InChI=1S/C6H12FNO2/c1-4(2)6(7,3-8)5(9)10/h4H,3,8H2,1-2H3,(H,9,10)
InChIKey
FGHQOHLWJCERHL-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-2-fluoro-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.0852 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09248 131.1
[M+Na]+ 172.07442 137.3
[M-H]- 148.07792 128.4
[M+NH4]+ 167.11902 151.1
[M+K]+ 188.04836 137.0
[M+H-H2O]+ 132.08246 126.1
[M+HCOO]- 194.08340 149.8
[M+CH3COO]- 208.09905 176.4
[M+Na-2H]- 170.05987 134.3
[M]+ 149.08465 127.7
[M]- 149.08575 127.7
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.