CID 105429830

4-amino-3-(difluoromethyl)butanoic acid hydrochloride

Structural Information

Molecular Formula
C5H9F2NO2
SMILES
C(C(CN)C(F)F)C(=O)O
InChI
InChI=1S/C5H9F2NO2/c6-5(7)3(2-8)1-4(9)10/h3,5H,1-2,8H2,(H,9,10)
InChIKey
DKICLHIPRMMYGM-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-4,4-difluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.06013 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06741 129.9
[M+Na]+ 176.04935 135.8
[M-H]- 152.05285 125.7
[M+NH4]+ 171.09395 149.4
[M+K]+ 192.02329 135.4
[M+H-H2O]+ 136.05739 123.4
[M+HCOO]- 198.05833 148.4
[M+CH3COO]- 212.07398 176.8
[M+Na-2H]- 174.03480 131.0
[M]+ 153.05958 124.7
[M]- 153.06068 124.7
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.