CID 167719493

4,4-difluoro-5-(methylamino)pentane-1,2-diol hydrochloride

Structural Information

Molecular Formula
C6H13F2NO2
SMILES
CNCC(CC(CO)O)(F)F
InChI
InChI=1S/C6H13F2NO2/c1-9-4-6(7,8)2-5(11)3-10/h5,9-11H,2-4H2,1H3
InChIKey
USCVAUFMPGCBJJ-UHFFFAOYSA-N
Compound name
4,4-difluoro-5-(methylamino)pentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.09143 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09871 134.9
[M+Na]+ 192.08065 140.6
[M-H]- 168.08415 129.7
[M+NH4]+ 187.12525 153.6
[M+K]+ 208.05459 139.4
[M+H-H2O]+ 152.08869 128.9
[M+HCOO]- 214.08963 152.5
[M+CH3COO]- 228.10528 177.3
[M+Na-2H]- 190.06610 139.3
[M]+ 169.09088 130.7
[M]- 169.09198 130.7
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.