CID 165692697

2-amino-3-(5-fluoropyridin-2-yl)-3-methylbutanoic acid dihydrochloride

Structural Information

Molecular Formula
C10H13FN2O2
SMILES
CC(C)(C1=NC=C(C=C1)F)C(C(=O)O)N
InChI
InChI=1S/C10H13FN2O2/c1-10(2,8(12)9(14)15)7-4-3-6(11)5-13-7/h3-5,8H,12H2,1-2H3,(H,14,15)
InChIKey
PVLFEUGHNVYJGO-UHFFFAOYSA-N
Compound name
2-amino-3-(5-fluoropyridin-2-yl)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0961 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10338 145.7
[M+Na]+ 235.08532 152.5
[M-H]- 211.08882 145.1
[M+NH4]+ 230.12992 161.8
[M+K]+ 251.05926 150.4
[M+H-H2O]+ 195.09336 138.6
[M+HCOO]- 257.09430 163.5
[M+CH3COO]- 271.10995 187.8
[M+Na-2H]- 233.07077 149.2
[M]+ 212.09555 142.4
[M]- 212.09665 142.4
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.