CID 80611068

3-amino-1,1-difluoro-2-methylpropan-2-ol

Structural Information

Molecular Formula
C4H9F2NO
SMILES
CC(CN)(C(F)F)O
InChI
InChI=1S/C4H9F2NO/c1-4(8,2-7)3(5)6/h3,8H,2,7H2,1H3
InChIKey
WQTBUMDCJTZBIX-UHFFFAOYSA-N
Compound name
3-amino-1,1-difluoro-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.06522 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.07250 124.4
[M+Na]+ 148.05444 131.1
[M+NH4]+ 143.09904 130.3
[M+K]+ 164.02838 128.2
[M-H]- 124.05794 120.2
[M+Na-2H]- 146.03989 126.1
[M]+ 125.06467 123.6
[M]- 125.06577 123.6
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.