CID 105429825

2-amino-3,3-difluoropentanoic acid

Structural Information

Molecular Formula
C5H9F2NO2
SMILES
CCC(C(C(=O)O)N)(F)F
InChI
InChI=1S/C5H9F2NO2/c1-2-5(6,7)3(8)4(9)10/h3H,2,8H2,1H3,(H,9,10)
InChIKey
JGYMWJOJXBPHTA-UHFFFAOYSA-N
Compound name
2-amino-3,3-difluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.06013 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06741 128.8
[M+Na]+ 176.04935 135.4
[M-H]- 152.05285 124.8
[M+NH4]+ 171.09395 148.4
[M+K]+ 192.02329 134.9
[M+H-H2O]+ 136.05739 122.9
[M+HCOO]- 198.05833 146.8
[M+CH3COO]- 212.07398 176.2
[M+Na-2H]- 174.03480 131.9
[M]+ 153.05958 123.7
[M]- 153.06068 123.7
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.