CID 55299587

2,2-difluoro-3-(methylamino)propan-1-ol

Structural Information

Molecular Formula
C4H9F2NO
SMILES
CNCC(CO)(F)F
InChI
InChI=1S/C4H9F2NO/c1-7-2-4(5,6)3-8/h7-8H,2-3H2,1H3
InChIKey
KYJLTAKLJYWDLP-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-(methylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

125.06522 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.07250 122.0
[M+Na]+ 148.05444 129.2
[M-H]- 124.05794 118.6
[M+NH4]+ 143.09904 143.3
[M+K]+ 164.02838 128.5
[M+H-H2O]+ 108.06248 116.4
[M+HCOO]- 170.06342 142.5
[M+CH3COO]- 184.07907 171.0
[M+Na-2H]- 146.03989 129.3
[M]+ 125.06467 118.2
[M]- 125.06577 118.2
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