CID 105433271

2-amino-3,3-difluoro-4-methylpentanoic acid hydrochloride

Structural Information

Molecular Formula
C6H11F2NO2
SMILES
CC(C)C(C(C(=O)O)N)(F)F
InChI
InChI=1S/C6H11F2NO2/c1-3(2)6(7,8)4(9)5(10)11/h3-4H,9H2,1-2H3,(H,10,11)
InChIKey
XXVSVJMOOGHOQD-UHFFFAOYSA-N
Compound name
2-amino-3,3-difluoro-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

167.07579 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08307 133.3
[M+Na]+ 190.06501 139.3
[M-H]- 166.06851 129.2
[M+NH4]+ 185.10961 152.3
[M+K]+ 206.03895 139.1
[M+H-H2O]+ 150.07305 127.4
[M+HCOO]- 212.07399 150.0
[M+CH3COO]- 226.08964 180.1
[M+Na-2H]- 188.05046 134.7
[M]+ 167.07524 128.0
[M]- 167.07634 128.0
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