CID 66037155

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

Structural Information

Molecular Formula
C5H11F2NO
SMILES
CC(C)(C(C(F)F)O)N
InChI
InChI=1S/C5H11F2NO/c1-5(2,8)3(9)4(6)7/h3-4,9H,8H2,1-2H3
InChIKey
NJGUDFYWFJFLDD-UHFFFAOYSA-N
Compound name
3-amino-1,1-difluoro-3-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.08087 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08815 127.4
[M+Na]+ 162.07009 133.8
[M-H]- 138.07359 123.5
[M+NH4]+ 157.11469 147.8
[M+K]+ 178.04403 133.5
[M+H-H2O]+ 122.07813 121.8
[M+HCOO]- 184.07907 145.0
[M+CH3COO]- 198.09472 175.1
[M+Na-2H]- 160.05554 130.5
[M]+ 139.08032 121.7
[M]- 139.08142 121.7
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.