CID 73553979

2,2-difluoro-3-(methylamino)propanoic acid hydrochloride

Structural Information

Molecular Formula
C4H7F2NO2
SMILES
CNCC(C(=O)O)(F)F
InChI
InChI=1S/C4H7F2NO2/c1-7-2-4(5,6)3(8)9/h7H,2H2,1H3,(H,8,9)
InChIKey
IXLWKIRZYZPTLF-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-(methylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

139.04448 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05176 123.6
[M+Na]+ 162.03370 130.9
[M-H]- 138.03720 120.2
[M+NH4]+ 157.07830 144.2
[M+K]+ 178.00764 130.5
[M+H-H2O]+ 122.04174 117.9
[M+HCOO]- 184.04268 143.6
[M+CH3COO]- 198.05833 172.9
[M+Na-2H]- 160.01915 129.7
[M]+ 139.04393 119.9
[M]- 139.04503 119.9
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

patents stripe